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ChangeLog
RasMol 2.7.5.2

       RasMol       

Molecular Graphics Visualisation Tool
13 June 2009 (rev. 13 May 2011)

Based on RasMol 2.6 by Roger Sayle
Biomolecular Structures Group, Glaxo Wellcome Research & Development, Stevenage, Hertfordshire, UK
Version 2.6, August 1995, Version 2.6.4, December 1998
Copyright © Roger Sayle 1992-1999

and Based on Mods by
AuthorVersion, DateCopyright
Arne MuellerRasMol 2.6x1 May 1998© Arne Mueller 1998
Gary Grossman and
Marco Molinaro
RasMol 2.5-ucb November 1995
RasMol 2.6-ucb November 1996
© UC Regents/ModularCHEM
Consortium 1995, 1996
Philippe ValadonRasTop 1.3 August 2000© Philippe Valadon 2000
Herbert J. BernsteinRasMol 2.7.0 March 1999
RasMol 2.7.1 June 1999
RasMol 2.7.1.1 January 2001
RasMol 2.7.2 August 2000
RasMol 2.7.2.1 April 2001
RasMol 2.7.2.1.1 January 2004
RasMol 2.7.3 February 2005
RasMol 2.7.3.1 Apr 06
RasMol 2.7.4 Nov 07
RasMol 2.7.4.1 Jan 08
RasMol 2.7.4.2 Mar 08
RasMol 2.7.5 Jun 09
RasMol 2.7.5.1 Jul 09
RasMol 2.7.5.2 May 11
© Herbert J. Bernstein 1998-2011

This Release by
Herbert J. Bernstein, Bernstein + Sons, 5 Brewster Lane, Bellport, NY, USA

Copyright © Herbert J. Bernstein 1998-2009

IMPORTANT

This version is based directly on RasMol 2.7.5.1, RasMol 2.7.4.2, RasMol 2.7.4.1, RasMol 2.7.4, RasMol 2.7.3.1, RasMol 2.7.3, RasMol 2.7.2.1.1 and on RasMol 2.7.2, on RasMol 2.7.1.1, on RasTop 1.3, on RasMol version 2.6_CIF.2, on RasMol version 2.6x1, on RasMol version 2.6.4, and RasMol 2.5-ucb and 2.6-ucb. Please read the file NOTICE for important notices which apply to this package and for license terms (GPL or RASLIC).

This version of RasMol is not in the public domain, but it is given freely to the community in the hopes of advancing science. If you make changes, please make them in a responsible manner, and please offer us the opportunity to include those changes in future versions of RasMol.


Changes from RasMol 2.7.5.1 to RasMol 2.7.5.2 include:

Changes to RasMol 2.7.5.1 to create RasMol 2.7.5.2:


[24/04/2011]    HJB command.c, command.h, molecule.c, molecule.h
                Add time command, remove redundant tree builds.
                Change flags to NearTree 3.1 interface

[13/12/2009]    TPI render.c
                PickAtoms(): Use WriteMsg() for text output
                DescribeAtom(), PickAtoms(): Reindent
                
[13/12/2009]    TPI gtkwin.c
                UpdateScrollBars(): Do not set ReDrawFlag.
                Fix screen update on picking labels etc.
                Remove unused variables, reindent.
                
[02/09/2009]    HJB maps.c
                Change maps to 4.5 sigma cutoff.

[02/09/2009]    HJB cmndline.c, command.c 
                Correct failure to do world rotation in new mouse mode


[09/08/2009]    HJB cmndline.c, command.c
                Restore general mouse control of bond rotation lost in 
                2.7.4.2 to 2.7.5 transition 

[23/07/2009]    HJB maps.c
                As per Marian Szebenyi correct the skip of symmetry 
                ops in CCP4 maps by missing factor of 80.


Changes from RasMol 2.7.4.2 to RasMol 2.7.5 include:

Changes to RasMol 2.7.4.2 to create RasMol 2.7.5.1:

[18/07/2009]    HJB .symlinks
                Update .symlinks to 2.7.5

[17/07/2009]    HJB cif.c command.c raswin_install.nsi
                Windows port changes:  Update NSIS installer script
                Change from mktemp to tmpfile and use rewind not freopen		

[17/07/2009]    HJB rasmol.doc rasmol.hlp rasmol.html cif.c command.c
                rasmol.man rasmol.tex rasmol.vms raswin.rtf
                Update doc for 2.7.5, and fix some spacing

[17/07/2009]    HJB cif.c x11win.c
                Correct X11 file menu for more than 5 open files
                Correct cif_read_file CBFlib version to use a temporary file 

[16/07/2009]    HJB rasmol_install.sh
                Correct reporting of font installs for Chinese.X and Japanese.X

[14/07/2009]    HJB transfor.c
                Fix missing scaling in new translate logic

[12/07/2009]    HJB command.c command.h tokens.c trnasfor.c transfor.h
                Preliminary movie play logic.

[11/07/2009]    HJB command.c
                Switch record templates to SSSSSS as per manual
                Fix a bug in defer symbol linking
                Report undefined symbols in calls to show defer symbol

[10/07/2009]    HJB Imakefile_base command.c
                Correct Imakefile_base
                Add defer/execute movie interaction

[09/07/2009]    HJB Imakefile_base rasmol_build_options.sh
                Provide new script, rasmol_build_options.sh to reconstruct
                new Imakefile from stable Imakefile_base

[09/07/2009]    HJB Imakefile rasmol.c
                Default Imakefile to use local copies of CQRLIB, CVECTOR,
                XFORMSLIB and CBFLIB.
                Change from use of fl_init to fl_initialize for xforms-1.0.91

[08/07/2009]    HJB Imakefile abstree.c applemac.c cif.stx.tab.c cmndline.c
                command.c command.h graphics.h gtkwin.c multiple.c
                outfile.c rasmac.c rasmol.c rastxt.c raswin.c render.c
                repres.c transfor.c transfor.h wbrotate.c wbrotate.h x11win.c
                Partial changes for defer/execute command.
                Update versions of external files used in Makefile.
                Cleanup of varibables names for saving dial values.

[04/07/2009]    HJB command.c maps.c molecule.c pixutils.c rasmol.h repres.c
                transfor.c
                Clean up errors in map color atom command and remove use
                of polys with differing vertex colors by breaking up the
                triangles into monchrome subtriangles

[02/07/2009]    TPI molecule.c
                Add #define _GNU_SOURCE to get the correct definition of basename()

[29/06/2009]    HJB command.c
                Fix to map select atom add
                Add esd to map show for distances to surfaces
                and make code for distances to reentrant surfaces more accurate

[25/06/2009]    HJB Imakefile command.c molecule.c molecule.h
                Update to use of NearTree 2.1.2
                Add code to report surface fit stats in map show

[18/06/2009]    HJB Imakefile build_MACOSX.sh build_all.sh command.c
                rasmol_install.sh tokens.c tokens.h
                Add 'add' and 'within' parameters to map select atoms command
                Also allow search radius to be specified

[16/06/2009]    HJB Imakefile
                Update Imakefile for use of installed packages

[14/06/2009]    HJB Imakefile
                Set up loads of necessary external packages from sourceforge

[13/06/2009]    HJB Imakefile applemac.c cmndline.c cmndline.h command.c
                graphics.h maps.h molecule.c molecule.h mswin31.c
                multiple.c rasmac.c tokens.c tokens.h transfor.c transfor.h 
                x11win.c
                Integrate surface and movie code with gtk code

[03/06/2009]    TPI rasmol.c
                DisplayUsage(): Revert back to fputs

[27/05/2009]    TPI render.c
                Do not assume sizeof(Pixel) == sizeof(Long)
                Use variables of type Pixel consistently in buffer clearing functions.
                Remove version of ClearBuffers() which does not require memset().

[17/07/2009]    TPI graphics.h
                add startup representation flags

[17/07/2009]    HJB rasmol.doc rasmol.html rasmol.man, 
                Update manual to 2.7.5

[12/05/2009]    TPI gtkwin.c
                Fix vte input problems by using vte input callback instead of 
                g_io_watch.
                Various file open fixes to GTK version
                Fix setting of initial window size.
                Fix file open in GTK version: Copy the file name to global var
                DataFileName before calling FetchFile.
                Add file type filtering to GTK filechooser.
                Whitespace fixes.

[12/05/2009]    TPI rasmol.c
                Fix text output with VTE in GTK interface.

[12/05/2009]    TPI command.c command.h rasmol.c
                Refactor file opening code.  Add support for opening more 
                than one file from the command line.
                Simplify file opening code, remove globs and allow to open files
                with spaces and other 'special' characters.
                Fix reading files from stdin with '-' arg.

[07/02/2009]    HJB command.c command.h rasmac.c rasmol.c rastxt.c raswin.c 
                tokens.c tokens.h transfor.c transfor.h
                Updates to enable the record mode to files.  Use with caution,
                there are some problems with picking up ReDrawFlag on changes
                in appearance.  Mouse motion helps to get past the glitch.

[06/02/2009]    HJB command.c command.h graphics.h gtkwinc. maps.c rasmac.c
                rasmol.c rastxt.c raswin.c tokens.c tokens.h transfor.c
                transfor.h
                First pass at SBEVSL movie-making commands

[16/11/2008]    HJB command.c maps.c
                Update to Lee-Richards approximation for probe of given
                probe radius with new logic for map spread 0; map scale off;
                so that set radius ; map resolution .67; map spread 0;
                map scale off; map generate surface produces a good surface
                approximation

[20/05/2009]    TPI molecule.c
                ReviseTitle(): If no identcode, use filename in the title

[20/05/2009]    TPI gtkwin.c multiple.c
                Update GTK molecule list when a molecule is picked
                gtkwin.c: set_gtk_open_file(); new function.
                UpdateGtkMoleculeList(); free allocated lists, reindent
                multiple.c: SelectMolecule(); call set_gtk_open_file()

[20/05/2009]    TPI gtkwin.c rasmol.c
                Fix recent files support in GTK version
                build_gtkmenu(): Set recent user sort type to most recently used.
    		Display 30 recent files.
    		Reindent.

[20/05/2009]    TPI printing-resolution.glade sizechooser.glade
                Remove useless response_id properties from glade files

[18/05/2009]    TPI gtkwin.c rasmol.c
                Really fix VTE output in GTK version.
                Stop using PTYs for terminal io with VTE.
                Don't touch the controlling terminal during init and reset.
                Make Delete key work and ignore unhandled terminal escape sequences.
                Use custom versions of RasMolExit and RasMolFatalExit in GTK version.
                Add some keyboard shortcuts to the GTK GUI.

[18/05/2009]    TPI gtkwin.c
                Change image export shortcut to C-X

[14/05/2009]    TPI rasmol_48x48.xpm Imakefile gtkwin.c
                Add an xpm icon for Rasmol.
                Set window icon in the GTK version.

[13/05/2009]    TPI command.c
                revert the filename globbing and extension handling code

[15/02/2009]    HJB rasmac.c rasmol.c raswin.c
                Clean up handling of ReDrawFlag for appearance changes

[31/10/2008]    HJB command.c maps.c
                First pass a Lee-Richards surface approximation for map
                generate with map resolution 1; map cale off; map level .5;
                map generate mesh


Changes from RasMol 2.7.4.1 to RasMol 2.7.4.2 include:

Changes to RasMol 2.7.4 to create RasMol 2.7.4.1:

[18/03/2008]    HJB graphics.h mswin31.c rasmol.c rastxt.c
                raswin.c x11win.c
                Add global InitWidth, InitHeight, InitXPos, InitYPos
                to support common implementation of command line
                options -height nnnn -width nnnn -xpos nnnn -ypos nnnn
                to control initial window size and position

[18/03/2008]    HJB x11win.c
                Redo Japanese and Chinese fontset logic as per suggestion
                by Mamoru Yamanishi

[18/03/2008]    HJB Imakefile
                Allow use of old X locale.

[18/03/2008]    HJB langsel_unix.c
                Switch Japanese for unix from SJIS to EUC-JP, introducing
                langsel_unix.c

[21/02/2008]    TPI actionmenu.gtk egg-macros.h eggfileformatchooser.c
                eggfileformatchosser.h graphics.h gtkwin.c Imakefile 
                multiple.c printing-resolution.glade rasmol.c sizechooser.glade
                transfor.c wbrotate.c
                Addition of GTK interface by T. Ikonen, including new routines
                actionmenu.gtk egg-macros.h eggfileformatchooser.c
                eggfileformatchosser.h gtkwin.c printing-resolution.glade
                sizechooser.glade

Changes from RasMol 2.7.3 to RasMol 2.7.4.1 include:

Changes to RasMol 2.7.4 to create RasMol 2.7.4.1:


[19/01/2008]    HJB
                Release 2.7.4.1 created
                
[18/01/2008]    HJB command.c, maps.c, maps.h, molecule.c
                mswin31.c outfile.c outfile.h pixutils.c pixutils.h
                rasmac.c, repres.c
                Add LoadCCP4MapFile. Extend range of stereo angle to
                60 degrees.  Add GM notoggle command.  Add code to
                avoid trying to reuse a zapped map.  Increase default
                map resolution to 1 Angstrom.  Change mapdata to
                void * and use memmove to allow multiple data types,
                add fields for number of grid divisions, map type,
                element size and element type.  Add code to load
                and save maps in CBFlib format.  Fix stereo. 

[16/01/2008]    HJB vector.c wbrotate.c
                Fix multiple definitions of PI. 		
                
[14/01/2008]    LM infile.c
                Add include of string.h as per Ladislav Michnovic.
                
[14/12/2008]    HJB graphics.h
                Add buffers for slab and depth pixel-by-pixel
                cutoff values.
                
[10/12/2007]    GM langsel.c langsel.h languages/README.txt 
                languages/genlanselall languages/langsel*.utf.c,
                tokens.c tokens.c
                Corrected japanese langsel encoding.  It is now 
                Shift_JIS.Added messages for NoToggle and ColourMode 
                commands. Updated langsel README.txt.  Add NoToggle 
                and ColourMode commands

[06/12/2008]    GM command.h
                Add NoToggle and ColourMode variables.

[25/11/2007]    HJB cif_fract.c
                Rewrite calculation of matrix inverse.

Changes to RasMol 2.7.3.1 to create RasMol 2.7.4:

[19/11/2007]    HJB
                Release 2.7.4 created
                
[19/11/2007]    HJB abstree.c abstree.h
                Break out element identification from GetElemNumber
                into GetElemDescrNumber.  Fix torsion angle calculation
                as per bug report and patch by Swati Jain.
                
[19/11/2007]    HJB applemac.c
                Add code to make languages sticky.  Add register and
                donate menu items, make languages sticky and launch
                browsers.
                
[19/11/2007]    HJB cif_fract.c
                Correct calculation of matrix transforming orthogonal
                to fractional coordinates and rewrite matrix
                transforming fractional to orthogonal.
                
[19/11/2007]    HJB command.c command.h
                Add code for map commands. Make CommandError accessible
                from other routines.  Add Raster3D write/save option.
                Allow proberadius of 6 Angstroms.  Add Bulgarian, 
                Chinese, Japanese and Russian commands.  Allow
                spacefill up to 12 Angstroms.  Allow mirror and
                rotate suboptions on write/save.
 
[19/11/2007]    HJB font.h, graphics.h
                Allow access to font parameters and support info

[19/11/2007]    HJB Imakefile
                Add use of CBFlib

[19/11/2007]    HJB infile.c
                Make sensitive to PDB version to allow for handling of
                remediated files, based on changes suggested by
                Huanwang Yang of the RCSB PDB in April 2007.
 
[19/11/2007]    GT langsel.c languages/
                langsel.c restructured to be generated from separate
                language files in the directory languages/
                

[19/11/2007]    HJB molecule.c molecule.h
                 Add atom type processing and DA, DC, DG, DT, DI for 
                 remediated PDB DNAs, based on changes suggested by
                 Huanwang Yang of the RCSB PDB in April 2007.


[19/11/2007]    HJB multiple.c multiple.h       
                 Manage map data for multiple molecules.  Increase the number
                 of molecules from 5 to 15. Increase the number of characters
                 in the name to 33 characters.

[03/12/2006]    HJB outfile.c
                Clean up compilation warnings in outfile.c

[19/11/2007]    HJB outfile.c outfile.h
                Add Raster3D support based on code by V. Stanev.  Partial
                Vector PS map support.  

[19/11/2007]    HJB pixutils.h
                Fix stereo of ribbons and map surfaces.  Protect against
                duplicate definition of Knot struct.  Make ClipPolygon
                accessible.  

[19/11/2007]    HJB rasmac.c rasmac.h
                Increase terminal window to 132 characters.  Add About dialog.
                Clean up maps on exit.  Add support for Russian, Bulgarian,
                Chinese and Japonese.  Add register and donate browser calls.
                Add G4 CPU type.  Extend export file types.

                
[19/11/2007]    HJB RasMac.r
                Update icons to new style.  Extend Export menu to BMP..., 
                GIF..., IRIS RGB..., PPM..., Sun Raster, PostScript, PICT...,
                Vector PS ..., Molscript ..., Kinemage ..., POVRay 3 ..., 
                VRML ..., Ramachandran ..., Raster3D ..., RasMol Script ....  
                Extend Apple menu to About RasMol..., RasMol Help ..., 
                Register ..., Donate ....  

[19/11/2007]    HJB rasmol.c
                Update to release 2.7.4 with map support. 


[19/11/2007]    HJB script.c script.h
                Add code to write out scripts for maps.


[19/11/2007]    HJB string_case.c string_case.h
                Fix case sensistive of last character comparison of strcasecmp and
                strncasecmp.  Add str255casecmp, strcasestr.


[19/11/2007]    HJB tokens.c tokens.h
                Add tokens for Average (MeanTok), Bulgarian (BulgarianTok),
                Chinese (ChineseTok), Contour (ContourTok = LevelTok), 
                Generate (GenerateTok), Japanese (JapaneseTok), Level (LevelTok
                = ContourTok), Map (MapTok), Mask (MaskTok), Mesh (WireframeTok),
                Mirror (MirrorTok), New (NewTok), Next (NextTok), R3D or
                Raster3D (Raster3DTok), Resolution (ResolutionTok), Spacing
                (SpacingTok), Spread (SpreadTok), Width (SpreadTok),  


[19/11/2007]    HJB transfor.c transfor.h
                Add map point colouring routines, ColourPointAttrib and
                ColourPointPotential.

[19/11/2007]    HJB x11win.c
                Extend Export menu to BMP ..., GIF ..., IRIS RGB ..., PPM ...,
                Sun Raster, PostScript, PICT ..., Vector PS ..., Molscript ...,
                Kinemage ..., POVRay 3 ..., VRML ..., Ramachandran ...,
                Raster3D ..., RasMol Script ....  Enable and extend Help 
                menu to About RasMol..., User Manual..., Register...,
                Donate....   Set locale for each langauge and use fontsets.
                Use table of languages versus fonts in langsel.  Add
                About splash screen and revise popup logic to handle it.
                Change text metrics to allow for Chineses and Japanese.
                Try to make lack of access to shared memory non-fatal.

[03/10/2007]    PK molecule.c        
                 "RasMol - " string added to the title of the window.

[03/10/2007]    PK multiple.c        
                 Window title is updated when different molecule is selected.

[02/02/2007]    HJB rasmol.c
                Remove // comments for AIX build.  Fix signed length conflict

[01/03/2007]    GT  rasmol.c
                Chinese version. 

[23/12/2006]    HJB x11win.c
                Detect remote X server that does not share memory

[29/12/2006]    HJB rasmol.c x11win.c
                Update x11win.c and rasmol.c to add links to list of browsers
                and to kill About dialog when the menu bar is selected
                
[29/12/2006]    HJB rasmol_install.sh
                Update rasmol_install.sh to allow recompilation of fonts
                on install to handle openwin and other old systems that
                can't handle byte-swapped bdf files, and add enviroment
                variable RASMOL_NOSPAWN to suppress spawn in intermediate
                xterm from rasmol_run.sh. -- HJB

[23/12/2006]    HJB rasmol_install.sh, rasmol_run.sh scripts
                Add new rasmol_install.sh and rasmol_run.sh scripts

[29/11/2006]    HJB raswin.idm
                Fix missing raswin.idm in src.

[29/11/2006]    HJB rasmol.c
                Add missing include of sys/stat.h in rasmol.c


[10/12/2006]    HJB x11win.c
                Additional updates for linux build with Russian, cleaning
                up X11 font selection for CP1251 and recovering when fonts
                are missing. -- HJB

[03/12/2006]    HJB x11win.c
                Mods for about screen under Linux -- HJB

[28/11/2006]    HJB x11win.c
                Changes for Russian and About dialog in unix

[20/10/2006]    HJB wbrotate.c
                Localize " not found!" message in RemoveBond and CreateBondAxis

[16/09/2006]    HJB x11win.c rasmol.c
                Start of RasMol Russian Translation Project based on translations
                by Gregory A. Pozhvanov of Saint Petersburg State University.

[11/02/2006]    HJB script.c script.h
                Add mirror and rotate options for VRML.

Changes from RasMol 2.7.2.1.1 (the final reference release of RasMol 2.7.2) to RasMol 2.7.3.1 include:

Changes to RasMol 2.7.3 to create RasMol 2.7.3.1:

[21/04/2006]    HJB rasmol.h RasMac.r raswin.rc
                Update version to 2.7.3.1

[21/04/2006]    CC abstree.c render.c repres.c repres.h
                Fix by Clarice Chigbo to improve accuracy of
                distance calculations by changing from Long to
                double.  Report model number.  Use Long instead 
                of short for monitors.

[15/12/2005]    HJB x11win.c
                Fix mouse runaway by removing conflict of HeldStep
                and HeldButton variable name use.
                
[16/07/2005]    HJB abstree.c infile.c render.c 
                Correct sign errors in use of ztrl
                


Changes to RasMol 2.7.2.1.1 to create RasMol 2.7.3:


[06/02/2005]    HJB
                Release 2.7.3 created

[21/01/2005]    HJB molecule.c
                Correct XYZ input by capping atom types.  Thanks to
                Stuart Prescott.

[16/01/2005]    HJB applemac.c, cmndline.c, command.c, command.h,
                infile.c, langsel.c, langsel.h, langsel_mac.c,
                molecule.c, molecule.h, mswin31.c, multiple.c,
                pixutils.c, pixutils.h, rasmac.c, rasmol.c, 
                rastxt.c, raswin.c, render.c, render.h, repres.c,
                repres.h, tokens.c, tokens.h, transfor.h, x11win.c
                Base level of changes for Lee-Richards molecular
                surfaces. 

[12/01/2005]    Clarice Chigbo repres.c, render.c, repres.h
                Correction to negative torsion angle monitors and to imprecise 
                distance and angle monitors; limits the available range for 
                distance monitors to approximately 327 Angstroms.  

[17/01/2005]    Clarice Chigbo script.c
                Output CPKNEW in scripts

[04/01/2005]    Ricky Chachra command.c
                Fix to wireframe 0, ribbon 0, cartoon 0, backbone 0, 
                strands 0 and trace 0 commands to work the same as these 
                command with off instead of 0

[30/10/2004]    Mamoru Yamanishi Imakefile, rasmol.c
                Used xforms to provide GUI for file open under X-windows 

[21/10/2004]    Clarice Chigbo tokens.c, tokens.h
                Define CPKNEW token

[20/10/2004]    Clarice Chigbo transfor.c, transfor.h
                New CPK color table

[26/04/2004]    HJB cif.c
                correction to handling of blank immediately following
                initial quote mark.

[26/04/2004]    HJB vector.c
                correction to SubtractAtoms for bond rotation.

Changes from RasMol 2.7.1 (the final reference release of RasMol 2.7.2) to RasMol 2.7.2.1.1 include:

Post-release changes to RasMol 2.7.2.1.1:


[07/05/04]    HJB mswin31.c
                restored lost fix for intialization of ZRange and
                DialValue[8..9] and rebuilt raswin.exe.  Thanks to
                Julien Hering.

[14/02/04]    HJB pixutils.c
                remove static from declaration of ClipVector.

[14/02/14]    HJB cif_stx.c
                remove trailing characters from #endif.

[03/02/04]    HJB Makefile.in
                Change transfer to transfor in 2 dependencies.  Thanks
                        to R. Harlow.

Changes to RasMol 2.7.2.1 to create RasMol 2.7.2.1.1:


[26/01/04]    HJB abstree.c
                Fix warning on sprintf calls with unused args, match long
                variables with %ld format descriptors.

[26/01/04]    HJB cif.c
                Add brackets to avoid compiler warnings on dangling elses.
                Fix cif_lex to parse 'O''' correctly.  Change from
                WORD to CIFWORD to avoid conflict with windows.h.

[26/01/04]    HJB cif.h
                Change from WORD to CIFWORD to avoid conflict with windows.h.
                Add prototype for cif_free_handle.

[26/01/04]    HJB cif.stx.tab.c
                Change from WORD to CIFWORD to avoid conflict with windows.h.

[26/01/04]    HJB cif_ctonum.c
                Remove unused variable dndec

[26/01/04]    HJB cif_fract.c
                Remove unused variable kk

[26/01/04]    HJB cif_stx.c
                Change from WORD to CIFWORD to avoid conflict with windows.h.
                Add include of rasmol.h.

[26/01/04]    HJB command.c
                Initialize variables to avoid compiler warnings.  Use %ld
                format for long variables.  Fix RotMode == RotBond which
                should have been an assignment.  Add parens on logical
                expressions.

[26/01/04]    HJB command.h
                Add prototypes for ResumePauseCommand, InterruptPauseCommand.

[26/01/04]    HJB graphics.h
                Add include of windows.h

[26/01/04]    HJB infile.c
                Removed unused ReadValue2.  Add brackets to avoid compiler
                warnings on dangling elses.  Initialize variables to avoid
                compiler warnings.

[26/01/04]    HJB langsel.c langsel_mac.c
                Add include of string.h

[26/01/04]    HJB molecule.c
                Add include of graphics.h.  Change to %ld format for longs.
                Remove unused variables.  Add brackets to avoid compiler warnings
                on dangling elses.

[26/01/04]    HJB molecule.h
                Add prototype of TestDisulphideBridge.

[26/01/04]    HJB multiple.c
                Fix reversed comment terminator.  Add include of string.h.  Add
                brackets to initializer to match structure.

[26/01/04]    HJB multiple.h
                Add prototype of ReRadius.

[26/01/04]    HJB outfile.c
                Initialize variables to avoid compiler warnings.  Change to %ld
                for long.

[26/01/04]    HJB pixutils.c
                Initialize variables to avoid compiler warnings.  Removed unused
                variables.

[26/01/04]    HJB pixutils.h
                Add prototypes of DrawTwinLine, ClipLine, ClipTwinLine,
                ClipDashLine, DrawTwinVector, ClipVector, ClipTwinVector, 
                ClipDashVector.

[26/01/04]    HJB rasmol.c
                Add parens to avoid compiler warning.

[26/01/04]    HJB rasmol.h
                Set version and date.  Add include of stdlib.h for malloc.

[26/01/04]    HJB render.c
                Change the handling of very long longs to avoid a compiler
                warning.  Use %ld format for longs.

[26/01/04]    HJB repres.c
                Remove unused variables.  Use %ld format for longs.  Initialize
                variables to avoid compiler warnings.

[26/01/04]    HJB repres.h
                Add prototype of LoadDotsFile.

[26/01/04]    HJB script.c
                Add include of string.h.  Use %ld format for longs.  Initialize
                variables to avoid compiler warnings.  Remove unused variables.
                Fix sign of trailing bits on VRML z coordinates.

[26/01/04]    HJB script.h
                Add prototype of WritePOVRay3File.

[26/01/04]    HJB tokens.h
                Add parens in definition of IsImageToken.

[26/01/04]    HJB transfor.c
                Add parens for logical expression.  Remove unused variables.
                Initialize variables to avoid compiler warnings.

[26/01/04]    HJB transfor.h
                Add prototype of DefineShade, RMat2RV, RV2RMat.

[26/01/04]    HJB wbrotate.c
                Add include of cmndline.h.  Remove unused variables.  Initialize
                variables to avoid compiler warnings.  Use %ld format for longs.
                Add value for a returns that need them.
 
[26/01/04]    HJB x11win.c
                Initialize variables to avoid compiler warnings.  Add brackets to
                avoid compiler warnings on dangling elses.

[14/04/02]    HJB Imakefile
                Update to allow scripts to make multiple pixel depths by
                setting PIXELDEPTH to 8, 16 or 32 externally.  Add default
                flags for various HP architectures.

[13/04/02]    HJB cif.c
                Reduce warnings by casting uses of size_t.

[13/04/02]    HJB cif_ctonum.c
                Reduce warnings by casting to int for pointers indptr-test.

[13/04/02]    HJB command.c
                Reduce warnings by explicit use of long (rather than Long)
                for fpos, and casting to size_t for comparisons, etc.

[13/04/02]    HJB infile.c
                In ProcessPDBBond, match types of srcatm and dstatom by
                changing from int to Long, casting to size_t for
                comparisons, etc.

[13/04/02]    HJB molecule.c
                Change MemSize from int to size_t.

[13/04/02]    HJB rasmol.c
                Change AdviseLen from int to size_t, change socket to xsocket,
                change __hpux to HPUX_LEGACY

[13/04/02]    HJB rasmol.h
                Add HPUX_LEGACY for old style hpux select.

[13/04/02]    HJB render.c
                Make test of sizeof(Long) > 4 conditional on not defining
                _LONGLONG.  Make some changes from Long to long, etc.

[13/04/02]    HJB x11win.c
                Cast some pointer diffs to int, change some Long to long,
                etc.

[29/06/01]    HJB command.c
                Correct logic for inline load of a new molecule from
                data file treated as a script.

[21/04/01]    HJB all
                Fix credit for initial Spanish translation.  Thanks to
                E. Martz. 

[19/04/01]    HJB command.c
                Post release fix to handling of load inline in 
                windows version due to problem with STRICT logic.
                Thanks to Jan Reichert  for pointing
                out the problem.

[18/04/01]    HJB command.c
                Post release fix to handling of load inline in UCB
                multiple molecule environment.  Thanks to Jan 
                Reichert  for pointing out the 
                problem.

Changes from RasMol 2.7.1.1 and 2.7.2 to create RasMol 2.7.2.1:

[14/04/01]    HJB script.c
                Correct error in writing scripts with partial use of spacefill.
                Thanks to Steven Vik  for reporting the 
                problem.

[14/04/01]    HJB rasmol.doc, itasmol2721.hlp, esrasmol.html
                Updated manuals for 2.7.2.1.
                
[02/04/01]    HJB	abstree.c, abstree.h
                Increase space for atom names from 4 to 12 characters.

[02/04/01]    HJB	applemac.c
                Add symbolic ZRange, add 2 dials. See [12/01/01] changes for langsel.

[02/04/01]    HJB	cmndline.c, cmndline.h
                Reworked all exits on mouse motion processing to leave values
                in DialValues or WRot..., etc depending on RotMode.  Made HeldButton
                a global for future reference.

[02/04/01]    HJB	command.c, rasmol.c, rasmac.c, raswin.c
                Change stereo command to cycle cross-wall-none.

[02/04/01]    HJB	command.c, script.c, transfor.c
                Rework output of rotation information.

[02/04/01]    HJB	infile.c
                Increase limit on atom names for CIF from 4 to 12 characters.

[02/04/01]    HJB	langsel.c langsel_mac.c
                Add French (thanks to Jean-Pierre Demailly 
                ) and Italian (Giuseppe Martini
                 and Giovanni Paolella 
                with contributions by: A. Davassi, M. Masullo, C. Liotto, G. Paolella,
                G. Martini.  Adapt to 2.7.2 menu structure.

[02/04/01]    HJB	mswin31.c
                Removed "Printing Completed" message.

[02/04/01]    HJB	multiple.c
                Save DotPtr to fix misplaced dots in multiple molecules.  Save
                LastTX, LastTY, LastTZ, LocalRadius, ShiftS, XlateCen.  Make
                "Insufficient memory" message be language dependent
                MsgStrs[StrMalloc]

[02/04/01]    HJB	outfile.c, pixutils.c, repres.c
                Rework backclipping separating ZOffset from new DepthValue,
                define BitBack

[02/04/01]    HJB	tokens.c
                Added the following tokens relative to 2.7.2, includes tokens
                added for 2.7.1.1:
                
                ASSE                 AxesTok
                ASSI                 AxesTok
                CADENA               ChainTok
                CADENAS              ChainTok
                CATENA               ChainTok
                CATENE               ChainTok
                COPY                 CopyTok
                DEPTH                DepthTok
                DIBUJO               CartoonTok
                DIBUJOS              CartoonTok
                E                    AndTok
                EJE                  AxesTok
                EJES                 AxesTok
                ELANCE               BondTok
                ELANCES              BondTok
                ELICHE               HelixTok
                ENGLISH              EnglishTok
                ELICHE               HelixTok
                ESQUELETO            BackboneTok
                ETIQUETA             LabelTok
                ETIQUETAS            LabelTok
                ETICHETTA            LabelTok
                ETICHETTE            LabelTok  
                FILODIFERRO          WireframeTok
                FILDIFERRO           WireframeTok
                FILI                 StrandsTok  
                FRENCH               FrenchTok
                GIRO                 TurnTok
                GIROS                TurnTok
                GRUPO                GroupTok
                GRUPPO               GroupTok 
                HEBRAS               StrandsTok
                IMAGE				 ImageTok
                ITALIAN              ItalianTok
                MOSTRAR              DisplayTok
                NASTRO               RibbonTok 
                NASTRI               RibbonTok 
                PASTE				 PasteTok
                POSITION			 PositionTok
                RIEMPIMENTO          SpacefillTok
                SALIR                ExitTok
                SCHELETRO            BackboneTok
                SELECTION            SelectionTok
                SHADEPOWER           ShadePowerTok
                SPANISH              SpanishTok
                TODO                 AllTok
                TUTTO                AllTok 
                VIEW                 ViewTok
                VIGNETTA             CartoonTok
                VISUALIZZA           DisplayTok 

[02/04/01]    HJB	transfor.c
                Rework interaction of mouse, local rotation and world rotation
                to make horizontal mouse motion of individual molecule rotate
                horizontally even when outer world rotation creates a tilt.
                Restores incremental mouse motion effects similar to what
                was in effect for 2.7.1, but with world rotations.  Reworked
                RasTop centering to restore 2.7.2 behavior -- defaults to
                center the new rotation on the screen.

[02/04/01]    HJB	several
                Make dial indices symbolic.

[02/04/01]    HJB	wbrotate.c, wbrotate.h
                Rework interaction of mouse and world rotation to make
                horizontal mouse motion of individual molecule rotate horizontally
                even when outer world rotation creates a tilt. 

Changes adopted from RasTop 1.3 in creating RasMol 2.7.2.1:

Note: These mods do not reflect the complete source of RasTop 1.3.

[31/01/00]    PV	command.c
                Added code for selecting atom areas with mouse:  changed 
                PickAtom() function name in PickAtoms();  changed PicAtome
                identifier in PickAtom; added function SelectArea()
                and DisplayArea(); added code for command "select view"

[30/01/00]    PV command.c 
Added command "select view" and corresponding code, which allows to select a part of a molecule based on screen display. [16/01/00] PV cmndline.c In PerformMouseFunc() corrected MM_CLIP to access clipping with the mouse, added MM_DEPT to access backclipping (depth) with the mouse. [16/01/00] PV transfor.h, transfor.c, token.h, token.c, script.c Added ShadePower in DefineColourMap(), which brings some interesting shade variations. Added ShadePowerTok and command "set shade x" with x between -20 to 20. [03/01/00] PV transfor.c Fixed bug (and modified) function Power() to handle Specpower [12/14/99] PV Added variables ShiftS and UseAutoDepthCue that adjust DepthCue with slabbing. [14/12/99] PV transform.c Added function CentreTransform() to either move the origin in the molecule or move the molecule to the origin (origin = True ). Added variables Cenx,y,z, which mesure distance centre-origin. [29/09/99] PV molecule.c Fixed bug in FindCisBonds() (no zeroing of last group cisbondflag); Added ability to convert triple bond to single (CreateBondOrder()) [24/09/99] PV cmndline.c Correlated mouse binding to global variable MouseMode. Removed EnableMenus(state==1) in ResetCommandLine(). Fixed mouse binding with INVERT on y values. Fixed bug on capture status on mouse-up. Added MM_PREV to mouse binding for deselection. Fixed INVERT on y value for mouseup. [21/09/99] PV command.c, render.h, render.c, transfor.h, transfor.c Added four new picking modes: select an atom: PickAtom; select a group: PickGroup; select a chain: PickChain; modify bonding/add multiple bonds: PickBond. Allowed picking parameter shift = -1 when Ctrl key is down to deselect an atom (a group, a chain) from the current selection. [Note by HJB 02/04/01 -- The UCB and 2.7.2 bond picking was used in 2.7.2.1 instead of the RasTop version] [22/09/99] PV abstree.h, abstree.c First step for saving atomsets & identifiers in RasMol scripts (SetSize to 100 and SymEntry and SymbolTable in header). [21/09/99] PV cif.h Fixed missing declaration of cif_parse in cif.h [21/09/99] PV cmndline.c In ProcessCharacter()) added ESC (0x1b) character to interrupt script pausing. [21/09/99] PV command.c Changed output for one-letter-code sequence in series of 50 characters with a space each subgroup of 10. [21/09/99] PV infile.c Compiling problems with RasMol 2.7.1 files (VisualC++ 5.0) - explicited all conversions long to short in infile.c /*casting*/ [21/09/99] PV pixutils.c Compiling problems with RasMol 2.7.1 files (VisualC++ 5.0) - fixed casting in drawstar() and clipstar() in pixutils.c Set ARCSIZE to 32768 under MSWIN, allowing drawing cylinders with radii up to 250 RasMol Units. Current implementation gives a maximum of 75 RU at maximum zooming. Mac implementation should be verified. [14/07/99] PV abstree.c transfor.c (Adapted from RasTop 1.3) Added shortcuts for direct evaluations of atomsets (BuildAtomSet(), SelectZoneExpr()). [14/07/99] PV abstree.c, transfor.c Added shortcuts for direct evaluations of atomsets (BuildAtomSet(), SelectZoneExpr()); gain up to 15 seconds of computer time on very large molecules. [10/07/99] PV cif.c Fixed memory allocation bug in cif_make_handle

Changes from RasMol 2.7.1 to create RasMol 2.7.2:

[28/08/00]    HJB	all
                Updates to comments, resources, etc for preliminary testing 
                release.
                
[21/08/00]    HJB	abstree.c, abstree.h
                Change type Atom to RAtom to avoid conflicts with X.
                Offset all uses of xorg, yorg, zorg databse entried with
                fxorg, fyorg, fzorg database entries for UCB bond
                rotation.  Change char* strings to unsigned char* strings
                to allow for extra UCB Angstrom and degree symbols.

[21/08/00]    HJB	applemac.c
                Change from use of toolbar settings to use of RotMode.
                Add new "Settings" menu.

[21/08/00]    HJB	cmndline.c
                Adapt GSG code from UCB mods for mouse moves, to make
                the moves control bond rotation, molecule rotation, or
                world rotation, but change from use of toolbar settings
                to use of RotMode

[21/08/00]    HJB	command.c
                Add new error message (ErrNoBond) for "Bond for rotation
                not picked".  Add new parameter for alternate conformer
                bond waist radius.  Adapt to fxorg, etc. offsets.  Adapt
                GSG UCB pick bond tool bar button to a command line
                command.  Add show centre, show rotation, show translation
                and show zoom commands.  Add bond, unbond commands.
                Add rotate bond, rotate molecule, rotate all command.

[21/08/00]    HJB	command.h
                Add space after "__huge"

[21/08/00]    HJB	font.h
                Adapt GSG UCB mods characters for Angstrom and degree to be
                additional symbols, not repalcements.

[21/08/00]    HJB	graphics.h
                Add new redraw flag, "RFRotBond" to signal that a bond
                rotation is involved, and add it to RFRotate, RFApply and
                RFInitial.  Add ZRange.  Move main X window definitions
                into this header to facilitate toolbar development.

[21/08/00]    HJB	infile.c, infile.h
                Change all Atom types to RAtom.  Add xorg, etc. offsets
                on all coordinate calauclations.  Move GroupPool definition
                to header.
                
[21/08/00]    HJB	molecule.h and all referring files
                Change type Atom to RAtom to avoid conflicts with X.
                Add fxorg, fyorg, fzorg database entries for UCB bond
                rotation offsets.

[21/08/00]    HJB	multiple.c
                Remove all use of the toolbar, converting to menu.
                Detect last element of file name string.  Update VarList
                for current variables.  Change to ANSI C prototypes.
                Move revised DrawMoleculeList from GSG's UCB toolbar.c
                into multiple.c, but drop list only into MolName[].

[21/08/00]    HJB	wbrotate.c, wbrotate.h
                Remove all use of the toolbar, converting to menu.
                Change to ANSI C prototypes.  Revise bond and world
                rotation logic to use full rotation, nor increment,
                for improved accuracy.  Change Bond rotation logic to
                preserve nesting of bonds without changing the original
                coordinates.  Add database of selected bonds and logic
                to add bonds on the fly and remove them.

[21/08/00]    HJB	vector.c, vector.h
                Change to ANSI C prototypes.  Replace Vector and Matrix
                with their array definitions for clarity.

[27/02/00]    HJB	transfor.c, transfor.h
                Add alternate conformer bond radius to EnableWireFrame

[23/02/00]    HJB	infile.c
                Fix *- for - typo in XYZ and MOL2 input of coordinates

[23/02/00]    HJB	molecule.c
                Fix D2O to DOD mapping.  Thanks to Brian W. Beck.

[23/02/00]    HJB	pixutils.c
                New code for alternate conformer bonds.

[23/02/00]    HJN	raswin.c
                Update WinMail entry to WINAPI

[29/01/00]    HJB	molecule.c
                Comment out chain by chain reset of bonding to allow for
                het groups after TER at expense of slower bonding.

[29/01/00]    HJB	mswin31.c
                Update printer logic for modern windows specs.

[29/01/00]    HJB	rasmac.c
                Fix reference of monaco font.

[15/07/99]    HJB (for AR)	raswin.c
                Add check for \r.  Thanks for Andrew Raine.

[15/07/99]    RS	raswin.c
                Add .ML2 and .SY2 extensions for Sybyl and MOL2.

Changes adapted from UCB rasmol in creating RasMol 2.7.2:

Note: These mods do not reflect the complete source of UCB RasMol. In particular toolbar.h and toolbar.c have not been used in this pass, and the full source of UCB RasMol has not yet been recovered.

[30/11/95]    GSG rasmac.c
                Hide command window.  Add help screen menu logic.  Add hooks to
                load multiple molecules.  Add toolbar menu to Windows menu.  Make
                mouse moves control bond rotation, molecule rotation or world
                rotation depending on tool bar button choices.  Same for scroll
                bars.
                
[29/11/95]    GSG	applemac.c
                Change default background for printing to white.
                Hook scroll bar H values to bond angle (BRotValue),
                molecule rotation angle (DialValue[1]) or
                world rotation angle (WRotValue[1]) depending on
                toolbar settings.  Hook scroll bar V values to
                molecule rotation angle (DialValue[0]) or
                world rotation angle (WRotValue[0]) depending on
                tool bar settings.  Allow file open when less than
                MAX_MOLECULES molecules.

[21/08/00]    GSG	font.h
                Add characters for Angstrom and degree as replacements
                for vertical bar and tilde.
                
[16/11/95]    GSG render.c, render.h
                Add PickBond.  Add hooks to draw multiple molecules.  Automatically
                switch to the molecule of any picked atom.  Add monitor for picked
                distance, angle or torsion angle.

[14/11/95]    GSG transfor.c
                Add hooks for bond rotation and global rotation.
                
[14/11/95]    GSG vector.c, vector.h, wbrotate.c, wbrotate.h
                New routines introduced with UCB mods to allow for
                bond rotations and global rotation.

[14/11/95]    GSG infile.c
                Add fxorg, fyorg, fxorg for MDL molecule input only.

[14/11/95]    GSG molecule.c, molecule.h
                Add fxorg, fyorg, fxorg and list of bonds to atom database
                for world and bond rotation.
                
[11/11/95]    GSG multiple.c, multiple.h
                New routine introduced with UCB mods to allow for
                multiple molecules.

[10/11/95]    GSG tokens.c,tokens.h
                Add MoleculeTok.
                
[10/11/95]    GSG repres.h
                Add flag for units to Monitors.

[09/11/95]    GSG	command.c, command.h
                Add hooks for multiple molecules.  Log background
                status to allow default white print background.
                Add molecule command.

[09/11/95]    GSG rasmol.c
                Add initialisation for multiple molecules.


Changes from RasMol 2.7.1 to create RasMol 2.7.1.1:

[21/01/01]    FGR, HJB	langsel.c, langsel_mac.c, mswin.c,  applemac.c
                Installed translations for Edit menu on mac and PC 
                provided by Fernando Gabriel Ranea. 

[17/01/01]    FGR, HJB	langsel.c, langsel_mac.c
                Corrections to translations by Fernando Gabriel Ranea, installed
                by HJB with revisions to menu bar accelerators.

[12/01/01]    HJB	applemac.c
                Added include of langsel.h.  Added routine ReWriteStr255 to rewrite
                menu bar items in place and tostr255 to convert other menu items
                strings to Pascal form for use in SetmenuItemText.  Set up
                ReDrawWindow to refresh all menu strings and then redraw the menu
                bar.  Note that the rewrite of the main menu bar is _very_ risky
                and may not survive system changes.

[12/01/01]    HJB	command.c
                Added include of langsel.h.  Remove redundant ErrorMsg array and Err...
                definitions.  Change messages to reference MsgStrs.  Add English and
                Spanish as commands calling SwitchLang.

[12/01/01]    HJB	infile.c
                Fix coordinate typo in load of XYZ and Mol2 molecules.

[12/01/01]    HJB	langsel.c, langsel_mac.c, langsel.h
                New routines to carry multi-lingual translations.  Many thanks to
                Fernando Gabriel Ranea for the bulk of the Spanish translations,
                and for creating the initial Spanish version of RasMol 2.7.1.  Note
                that langsel.c uses the ANSI character set, while lansel_mac.c uses the
                Macintosh character set.

[12/01/01]    HJB	molecule.c
                Added include of langsel.h.  Changed messages to reference MsgStrs.
                Refixed D2O misparse, which had been previously fixed.  Mod had been
                lost.

[12/01/01]    HJB	mswin31.c
                Added include of raswin.idm and langsel.h.  Included partial update
                to printer logic.  Added ReDrawWindow as rewrite of menus with
                ModifyMenu and RemoveMenu/AppendMenu calls.

[12/01/01]    HJB	rasmac.c
                Added include of langsel.h.  Added SwitchLang(English) calls
                for initialization to main routine.

[12/01/01]    HJB	rasmol.c
                Add fix for broken math routines by referencing atan2.

[12/01/01]    HJB	rasmol.h
                Added include of langsel.h.  Added SwitchLang(English) calls
                for initialization to main routine.

[12/01/01]    HJB	raswin.c
                Added include of langsel.h.  Changed font of command window to ANSI
                character set.  Changed most messages to reference MsgStrs.  Add
                SwitchLang(English) calls for initialization to WinMain.

[12/01/01]    HJB	x11win.c
                Restructured MenuItem and BarItem to make .text, .pos and .len
                indirect, so that they can be fetched from MsgStrs, MsgAuxl and
                MsgLens.  The .pos field is used to specify the character offset
                of the acceleration key.  The main menu bar may now have non-zero
                offsets.  All the menu items have been changed to MsgStrs[StrM...]
                referecences, and added include of langsel.h.  Added ReDrawWindow
                simply as a call to ReSizeWindow.  This is overkill, but appropriate
                for these infrequent calls.

[12/01/01]    HJB	tokens.h
                Added tokens EnglishTok and SpanishTok.

[12/01/01]    HJB	graphics.h
                Added prototype of ReDrawWindow, a system-dependent call to be used
                after updating menus on language changes.

[12/01/01]    HJB	cmndline.c
                Added include of langsel.h, changed prompts as follows:
                
                "PDB file name:"		MsgStrs[StrPrmtPDB]
                "Image file name:"		MsgStrs[StrPrmtImg]
                "Molecule file name:"	MsgStrs[StrPrmtMol]
                
                

[12/01/01]    HJB	tokens.c
                Added the following tokens:
                
                CADENA               ChainTok
                CADENAS              ChainTok
                DIBUJO               CartoonTok
                DIBUJOS              CartoonTok
                E                    AndTok
                EJE                  AxesTok
                EJES                 AxesTok
                ELANCE               BondTok
                ELANCES              BondTok
                ENGLISH              EnglishTok
                ESQUELETO            BackboneTok
                ETIQUETA             LabelTok
                ETIQUETAS            LabelTok
                GIRO                 TurnTok
                GIROS                TurnTok
                GRUPO                GroupTok
                HEBRAS               StrandsTok
                MOSTRAR              DisplayTok
                SALIR                ExitTok
                SPANISH              SpanishTok
                TODO                 AllTok 


[26/12/99]    HJB	mswin31.c
                Do not reset Voxel Data for each chain.

[02/10/99]    HJB	molecule.c
                Update printer logic.

Changes from RasMol 2.7.0 to RasMol 2.7.1.1 include:

Changes from RasMol 2.7.0.1 to create RasMol 2.7.1:

[15/07/99]    HJB	documentation
                Add Dunix binaries.  Thanks to David Atkinson

[06/07/99]    HJB	all 
                Release 2.7.1

[05/07/99]    HJB	documentation
                Cut-off date for Release 2.7.1 documentation changes.

[22/06/99]    HJB	all source
                Cut-off date for Release 2.7.1 code changes.

[22/06/99]    HJB	command.c
                Save fact that a data file was loaded inline.  Add
                processing for star command, all new options for
                bondmode [all | none | not bonded ]

[22/06/99]    HJB	infile.c
                Update DataFileFormat after autorecognition.

[22/06/99]    HJB	molecule.h
                Add MarkAtoms to hold new bondmode flags.

[22/06/99]    HJB	pixutils.c, render.c
                Add code for new star command.

[22/06/99]    HJB	script.c
                Add logic to write star command output.  Report data
                loaded as CIF or as inline correctly.  Warn users
                that inline data is not being written out.  Check
                inversion of Y-axis on POVRAY3.  Thanks to Curt
                Haltiwanger for suggesting marking non-bonded atoms
                on wireframe displays.

[22/06/99]    HJB	transfor.c
                Add code for new star command, new bondmode options.

[18/06/99]    HJB	pixutils.h, pixutils.c
                Change name of DisplayString to DisplayRasString to
                avoid a conflict with X libraries.  Add FontWid array
                to hold character widths (FontSize for FS, FontSize/4
                +1 + maximum x position for PS).  Add FontStroke logic to
                write cylinders instead of lines when FontStroke is not
                zero.

[18/06/99]    HJB	render.c
                Change name of DisplayString to DisplayRasString to
                avoid a conflict with X libraries.

[18/06/99]    HJB	repres.c
                When FonstStroke is non-zero, don't offset character
                color by (ColourMask>>1), to allow room for color
                adjustments in cylinder drawing.

[18/06/99]    HJB	script.c
                Add logic to write PS flag for proportional spacing
                on set fontsize, and logic to write set fontstroke n.

[18/06/99]    HJB	tokens.c, tokens.h
                Add tokens for BlueTint (BlueTintTok), Brown (BrownTok),
                FontStroke (FontStrokeTok), FS (FSTok), Gold (GoldTok),
                Gray or Grey (GrayTok), GreenTint (GreenTintTok), HotPink
                (HotPinkTok), Pick as an alternative for Picking 
                (PickingTok), Pink (PinkTok), PinkTint (PinktintTok),
                SeaGreen (SeaGreenTok), SkyBlue (SlyBlueTok),
                YellowTint (YellowTintTok)

[13/06/99]    HJB	command.c
                Change processing of load inline command to work from
                the currently opened script, saving the file position.
                Accept HEADER and DATA_... as commands in a script,
                processing that line and all subsequent lines as a
                data file, unless a prior load inline command was already
                done		

[12/06/99]    HJB	infile.c
                When processing a PDB file, test for DATA_... until
                a non-comment, non-blank line is found.  Revert
                to CIF processing if DATA_... is found.

[11/06/99]    HJB	infile.c
                In PDB format input extract EXPDTA for Info.technique.  
                In CIF format input accept _audit_block_code for the 
                entry ID, _exptl.method, _diffrn_radiation.probe or 
                _diffrn_radiation_probe for Info.technique.  Preserve 
                low order bits of coordinates in xtrl, yrtl, ztrl.  On 
                PDB output, report Info.technique in EXPDTA and reinsert 
                low-order bits for coordinates.

[10/06/99]    HJB	abstree.c
                Add code to report coordinates for show selected cordinates  

[10/06/99]    HJB	command.c
                Recognize new commands, picking coordinates, 
                show selected cordinates.  Update default title produced
                by title command.

[10/06/99]    HJB	molecule.h
                Add new Info fields for date and technique.  Extend
                identcode to 80 columns.  Add CRD to Selection enum type.
                Add prototype for ReviseTitle.

[10/06/99]    HJB	render.h, render.c
                Add code to report coordinates for picking coordinates,
                define PickCoord symbol.

[10/06/99]    HJB	tokens.h, tokens.c
                Add code recognize COORD, COORDS, COORDINATE, COORDINATES for 
                new CoordTok, DATA_... for CIFDataTok, HEADER for HeaderTok 

[09/06/99]    HJB	molecule.c
                Put PDB entry ID and EXPDTA info into canvas title, report
                EXPDTA data from Info.technique on reading file.

[06/06/99]    HJB	infile.c
                Restore the origin on PDB and other outputs.

[06/06/99]    HJB	script.c
                Change script output to include centering and
                change various coordinate outputs to restore
                origins the z-axis orientation.

[06/06/99]    HJB	command.c
                Add command centre [CenX,CenY,CenZ] to center by offsets
                from centre of gravity.
                
[03/06/99]    HJB	render.c
                Remove call to TranslateToCentre, hold centering
                in CenX, CenY and CenZ, decoupled from dials,
                add RFRotate to ReDrawFlag on centering.  Thanks to
                Bohdan Schneider for pointing out the problems with
                centering.

[03/06/99]    HJB	transfor.c
                Remove TranslateToCentre, remove processing of CenX,
                CenY and CenZ from dial values, and put it into
                computation of ptr->x,y,z

Changes after release of RasMol_2.7.0.1:

[27/04/99]    HJB	README.html, Changelog.html, INSTALL.html, manual
                Add navigation links at top and bottom of each page.
                Add links for gzipped versions of raswin.hlp, rasmol.hlp.
                Thanks to E. Martz and Kjeld Olesen.

[27/04/99]    HJB	INSTALL.html, manual
                Replace empty copy of INSTALL.html in doc/, correct
                embedded html in manual.  Thanks to Kurt Giles.

Changes from RasMol_2.7.0 to create RasMol_2.7.0.1:


[22/04/99]    HJB
                Announce RasMol 2.7.0.1 on pdb-l@rcsb.org, 
                rasmol@lists.umass.edu, mmciflist@ndbdev.rutgers.edu

[11/04/99]    HJB	*.c, *.h
                Update all comment blocks for new version and date

[11/04/99]    HJB	abstree.h
                Realign Pred... to agree with ...Tok to correct
                misaligned introduced by HJB (not AM) during merge of 2.6x1
                into 2.7.0.

[11/04/99]    HJB	tokens.h
                Fix definition of IsPredTok

[09/04/99]    HJB	molecule,h
                Make residue identification case-insensitive.


Changes from RasMol_2.6.4, RasMol2.6x1 and RasMol_2.6_CIF.2 to create RasMol_2.7.0:

[30/03/99]    HJB	all
                Cleanup and release of version 2.7.0

[23/03/99]    HJB	abstree.c
                Add code to select on alternate conformers.  Increase
                accuracy of torsion angle calculation.

[23/03/99]    HJB	command.c, command.h
                Make InitHelpFile generally available, change to 
                WriteString for reporting CisBondCutOff for use on mac,
                report models on show selected.

[23/03/99]    HJB	rasmol.c, raswin.c, rasmac.c
                Add suggestion for help notice to initial text lines.

[23/03/99]    HJB	script.c
                In order to support mac introduce WriteBuffer and
                change all fprintf(outFile, ... to WriteBuffer, provide
                code from fisipl for Ramachandran printer plot.  Handle
                signs of torsion angles.  Thanks to F. C. Bernstein.

[23/03/99]    HJB	tokens.h, tokens.c
                Add RamPrintTok, RPP, RDF, etc., hook POVRAY3 to the
                new POVray code.

[20/03/99]    HJB	*.h, *.c
                In general, the RasMol_2.6_CIF.2 version was used as a base
                and upgraded with the RasMol_2.6.4 changes.  The exceptions
                are below

[20/03/99]    HJB	infile.c
                Cell parameters are read with the double routine ReadDecValue
                from 2.6_CIF.2, rather than ReadValue2 from 2.6.4


Changes from RasMol_2.6 to create RasMol_2.6x1:

[15/2/98]    AM	abstree.c, abstree.h
                Add PredCisBond, DescribeObj, CalcPhiAngle, CalcPsiAngle,
                CalcOmegaAngle, shift torsion angle calculations 180
                degrees.

[15/2/98]    AM	command.c
                Add FindCisBonds, CisBondCutOff, show of selected chains,
                groups, atoms, show and write of phi-psi angles

[15/2/98]    AM	molecule.h, molecule.c
                Add CIS bond logic

[15/2/98]    AM	rasmol.h, rasmol.c
                Add USE_FD_SET_TYPE option

[15/2/98]    AM	script.h, script.c
                Add WritePhiPsiAngles, code for POV-Ray version 3
                

[15/2/98]    AM	tokens.h
                Add CisBondedTok, RamachanTok, CisAngleTok, PhiPsiTok,
                define PHIPSI, CISANGLE, RAMACHAN, CISBONDED

Changes from RasMol_2.6 to create RasMol_2.6.4:

[8/2/99]    RS	command.c, rasmol.c, scripts.c, rastxt.c, raswin.c
                rasmac.c
                Final fixup and release of version 2.6.4

[27/12/98]    RS	*.h, *.c
                Remove all non-ANSI-C prototypes and ensure use of ( void )
                for empty argument lists.  Upgrade all procedure delcarations.
                Convert to use of MSWIN.

[27/12/98]    RS	abstree.c
                Redo torsion angel calculation.
                

[27/12/98]    RS	applemac.c
                Convert to Apple's new routine names

[27/12/98]    RS	cmndline.c, cmndline.h
                New routine for mouse, keyboard, dials

[27/12/98]    RS	command.c, command.h
                Move routines for mouse, keyboard, dials to cmndline.c.
                Redo ParseColour.  Reorganize command parsing

[27/12/98]    RS	infile.c
                Change references to MMIO to MMIOLIB.  Pass fp and buffer
                to FetchRecord as argument.  Add ReadValue2, ProcessPDBBond,
                ProcessPDBUnitCell.  Fix recognition of END. Use
                InvalidateCmndline and UnusedArgument.  Write MODEL and 
                ENDMDL records when appropriate
                
[27/12/98]    RS	molecule.c
                Reorganize FindResNo as a character-oriented search tree
                Add Cache.

[27/12/98]    RS	rasmac.c
                Convert to Apple's new routine names

[27/12/98]    RS	rastxt.c
                New text-only main program

[27/12/98]    RS	repres.c
                Add LabelTermnii

[27/12/98]    RS	tranfor.c
                Add TranslateToCentre

[27/12/98]    RS	transfor.h
                Reorganize the logic defining DefaultAmbient, making
                the default value 0.4 instead of 0.6, except for E&S, which
                is still .05.

[27/12/98]    RS	tokens.c
                New routine for character-oriented search tree for tokens.
                
[01/08/97]    RS	infile.c
                Decreased the maximum valid alpha carbon to alpha carbon
                distance to 4.2 Angstroms from 7.0 Angstroms.  Thanks to
                Kostas Sfyrakis and Harren Jhoti.

[15/04/97]    RS	molecule.c repres.c
                Fixed a bizarre feature in the OpenVMS compiler that complained
                about "a=*b" as "=*" operator is an obsoltete form and may not
                be portable.  Special thanks to Remington Stone.

[28/11/96]    RS	rasmol.h rasmol.c
                Several minor fixes to compile RasMol under VMS.  Special
                thanks to Adam Ralph (and CCP4).

Changes from RasMol_2.6_CIF(Rev 1) to create RasMol_2.6_CIF(Rev 2):

[24/2/99]    HJB	Release of RasMol_2.6_CIF(Rev 2) at
                http://www/bernstein-plus-sons.com/software/rasmol
                and announce to mailing lists.

[21/2/99]    HJB	cif.h
                Add prototypes of cif_make_handle, cif_read_file,
                cif_make_file, cif_save_character to avoid compiler warnings

[21/2/99]    HJB	cif_ctonum.c
                Remove unneeded values.h

[21/2/99]    HJB	cif_ctonum.h
                Correct prototype

[21/2/99]    HJB	infile.c
                Add cif_ctonum.h, define LoadCIFMolecule prototype,
                initialize ch, add return  to avoid compiler warnings.

[21/2/99]    HJB	abstree.c, cif.c, cif_ctonum.c, command.c, 
                infile.c, molecule.c
                Use string_case.h instead of  for IBMPC,
                VMS and APPLEMAC.

[21/2/99]    HJB	rasmol.h
                Update version, add some definitions from R. Sayle's
                2.6.4 in preparation for 2.7.0.

[21/2/99]    HJB	rasmac.c, rasmol.c, raswin.c
                Update reported date on startup.

[21/2/99]    HJB	render.c
                Add cif_fract.h to avoid compiler warnings.

[21/2/99]    HJB	string_case.c
                Replace garbled version, provide string_case.h.

[21/2/99]    HJB	script.c
                Initialize first, last, radius, to avoid compiler warnings

[21/2/99]    HJB	transfor.c
                Initialize min and max to avoid compiler warnings.

[10/1/99]    HJB	Release of RasMol_2.6_CIF(Rev 1) at
                http://www.bernstein-plus-sons.com/software/rasmol
                and announce to mmCIF mailing list.

[9/1/99]    HJB	cif.c
                Change toupper calls to ToUpper calls.  

[8/1/99]    HJB	command.c
                Add argument to CreateMoleculeBonds to force zapping
                on connect.  

[8/1/99]    HJB	infile.c
                Log requested bonds which cannot be made in NullBonds
                and report to users, add RightJustify to right-justify
                residue names, recognize _atom_site_disorder_group
                for small molecule alternate conformerse, recognize bonds
                which don't have either atom names or atom numbers.

[8/1/99]    HJB	molecule.c
                Add argument to CreateMoleculeBonds to force zapping
                on connect.  

[8/1/99]    HJB	molecule.h
                Add argument to CreateMoleculeBonds to force zapping
                on connect, add NullBonds to log requested bonds which
                cannot be made.  

[8/1/99]    HJB	mswin31.c
                Use VERSION to construct window title.

[8/1/99]    HJB	outfile.c
                Use VERSION to construct Postscript output file header.

[8/1/99]    HJB	rasmac.c
                Use VERSION to report version on startup.

[8/1/99]    HJB	rasmol.c
                Use VERSION to report version on startup.

[8/1/99]    HJB	raswin.c
                Use VERSION to report version on startup.

[8/1/99]    HJB	script.c
                Use VERSION to construct various output file headers.

[8/1/99]    HJB	x11win.c
                Use VERSION to construct window title.

Changes from RasMol_2.6 to create RasMol_2.6_CIF:


[22/12/98]    HJB	Preliminary release of RasMol_2.6_CIF at
                http://www.bernstein-plus-sons.com/software/rasmol

[19/12/98]    HJB	command.c
                correct handling of internal help files under windows,
                and allow for unix help files on a mac.

[18/12/98]    HJB	Makefile.in, Imakefile
                Update for CIF support. 

[09/12/98]    HJB	infile.c
                Cummulative changes for fractional coordinates,
                CIF.  

[09/12/98]    HJB	command.c
                Changes for alt, model labels, colour schemes,
                CIF.  

[09/12/98]    HJB	molecule.h
                Cummulative changes for fractional coordinates,
                new colour schemes, CIF.  

[09/12/98]    HJB	molecule.c
                Cummulative changes for fractional coordinates,
                new colour schemes, CIF.  
[09/12/98]    HJB	x11win.c
                Update comments, menus and version text.

[09/12/98]    HJB	mswin31.c
                Update comments, output file commentary.

[09/12/98]    HJB	outfile.c
                Update comments, output file commentary.

[09/12/98]    HJB	script.c
                Update comments, output file commentary.

[09/12/98]    HJB	rasmol.c
                Update comments, output file commentary.

[04/12/98]    HJB	pixutils.c
                Update comments, code to stripe bonds for alternate
                conformers.  

[04/12/98]    HJB	pixutils.h
                Update comments, protytpes to stripe bonds for alternate
                conformers. 

[04/12/98]    HJB	rasmac.c
                Update comments, adjust code for current Metrowerks
                compiler.  

[04/12/98]    HJB	raswin.c
                Update comments, adjust code for current Metrowerks
                compiler.  

[04/12/98]    HJB	tokens.h
                Update comments, tokens for alt, model colours.

[04/12/98]    HJB	transfor.c
                Update comments, add code for alt, model colours.
                
[04/12/98]    HJB	transfor.h
                Update comments, prototypes for alt, model colours.

[23/11/98]    HJB	abstree.c
                Add code for %A, %M specifiers, divide u/l case. 

[22/11/98]    HJB	cif_fract.c
                New routine, derived from cif2pdb by H.J. Bernstein
                and F. C. Bernstein.  

[22/11/98]    HJB	cif_fract.h.
                New header for cif_fact.c. 

[22/11/98]    HJB	cif_stx.c
                New routine, derived from P. Ellis CBFlib parser.

[23/11/98]    HJB	render.c
                Update comments, add code to stripe bonds for alternate
                conformers. 

[23/11/98]    HJB	repres.c
                Update comments, add code to stripe bonds for alternate
                conformers. 

[09/09/98]    HJB	cif_ctonum.c
                New routine, derived from ciftbx by S. R. Hall
                and H. J. Bernstein.  

[09/09/98]    HJB	cif_ctonum.h
                New header for cif_ctonum.c. 

[18/08/98]    HJB	cif.h
                New header for cif.c, derived from CBFlib by P. Ellis
                and H. J. Bernstein. 
                	 
[18/08/98]    HJB	cif.c
                New routine derived from CBFlib by P. Ellis and 
                H. J. Bernstein. 
                	 
[14/08/98]    HJB	rasmol.c
                Added hooks for termio for Linux.  These changes
                are similar to, but not identical to the FreeBSD hooks.
                See the linux conditionals. -- H. J. Bernstein

Other Changes

The complete version 2 change history is in the directory ChangeLog


| OpenRasMol | Copying and Distribution | Contents | Installation Instructions |
| Changes | Things To Do | Introduction | Source Code and Binaries |
| RasMol Manual | Spanish Translation of RasMol Manual | Italian Translation of RasMol Help File |
| Donate to Support RasMol | Release README | Register your RasMol |

Updated 14 May 2011.
Herbert J. Bernstein
Bernstein + Sons, 5 Brewster Lane, Bellport, NY 11713-2803, USA