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ChangeLog History

These logs list all changes made to rasmol source since the release of version 2.1 on the 18th of June 1993 by Roger Sayle.

RasTop 2.0
RasTop 1.3.1
RasTop 1.3
RasMol 2.7.1
RasMol 2.7.0.1
RasMol 2.7.0
ChangeLog 9
ChangeLog 8
ChangeLog 7
ChangeLog 6
ChangeLog 5
ChangeLog 4
ChangeLog 3
ChangeLog 2
ChangeLog 1

up.gif (892 bytes)RasTop 2.0 ChangeLog 

This log contains changes made from rastop 1.3.1 to rastop 2.0. Numerous 
changes were adapted from rasmol 2.7.2 and 2.7.2.1 from Herbert Bernstein. 
[12/01] PV, all files.
        - Added DepthCue.
        - Doubled colour shades (HICOLOR).
        - "Prepared" rotation, translation, and zoom commands.
        - Added commands "scale","colour axes world","reset worlddepth",
          "show worlddepth", "colour dots none", and "position world".
        - repres.c: Added code to the Richards-Connolly surface.
	- Changed management of dot color.	
[10/01] PV
	- Added command position.
	- Added help html command.
[09/01] PV
	- pixutil.c: Corrected bug in CommonVectStep.
	- command.c: Corrected zoom command.
[08/01] PV
	- transfor.c,script.c: Normalized Range for calculating translation
	offsets. This changes classical translation scripting (see rastop
        	help).
	- command.c: Added with corrections the "set stereo"
        	command modification from rasmol 2.7.2.1 by H. Bernstein - 
	see other stereotok as well.
	- render.c: Inverted left and right image - the last and correct
        	image is now the left one. Adjusted IdentifyAtom function for picking in
        	stereo.
	- FindDisulphideBridges(): Corrected bug on slist.
	- molecule.c/.h: Added function ReclaimAllBonds.
	- transfor.c/.h: Added function PrepareBondRotate.
	- command.c: Corrected bug on INVERT in rotate bond command.
	- vector.c: Corrected SubstractAtom.
	- Replace BondsSelected by RotBondsList.
	- vector.c: Added function ZeroMatrix.
	- All: Added triple coordinate system.
	- All: Improved way to calculate centre rotation.
	- Command.c: Modified ExecuteShowCommand.
	- abstree.c: Modified DescribeObj.
	- Corrected inversion in RotYMatrix.
	- render.c: Corrected Y axis labeling.
	- command.c: Added DescribeWorld function.
	
[07/01] PV
	- All project: Fixed Filemodified variable.
	- Put ShadePower scripting values like in RasMol 2.7.2.1 [H. Bernstein].
	- command.c: Added ExecuteResetCommand() function.
	- render.c (DrawFrame) Corrected SlabInten.
	- (mostly) command.c: Wrote saving and opening of rsm files.
	- multiple.c: Added with changes function ReRadius() from rasmol
        	2.7.2.1.
	- transfor.c: Modified InitialTransform to adjust zoom factor upon
        	loading.
	- render.c: Modifid ResizeScreen function.
	- transfer.c: Modified DrawWorld() to prevent conflict with maxzoom
        	during cliboard manipulations.
	- script.c: Added macro IsZero(x).
	- All: variable RefreshState: Found deep conflict between refreshing,
        	saving,and fast drawing. Modifications may not be ok in 8-bit mode
	(ColourMap).
	- Added corrections from rasmol 2.7.2.1 by Herbert Bernstein:
	- molecule.c: SimpleAtomType(), ComplexSimpleAtomType(): Corrected
        	bug with ElemnDesc.
[14/04/01] HJB script.c
	Correct error in writing scripts with partial use of spacefill.
	Thanks to Steven Vik <svik@mail.smu.edu> for reporting the
        	problem.
[02/04/01] HJB abstree.c, abstree.h
	Increase space for atom names from 4 to 12 characters.
	
[02/04/01] HJB infile.c
	Increase limit on atom names for CIF from 4 to 12 characters.
	
[02/04/01] HJB several
	Make dial indices symbolic (PV: Not fully done yet!)
[21/08/00] HJB command.h
	Add space after "__huge"
[23/02/00] HJB infile.c
	Fix *- for - typo in XYZ and MOL2 input of coordinates
[05/01] PV
	- Clipping is not reset anymore upon "reset" in order to
        	respect the world construction when new molecules are loaded. 
	The old way of bringing clips to the center of the molecule 
	does not seem logical.
	- Added command "reset ligth", "reset slab", and "reset depth".
	- Added commands "refresh off" and "refresh on".
	- Cmndline.c: Added function ProcessWheelDial().
	- ResizeScreen: Corrected background redrawing in Displaymode.
	- DefineColourMap: Darkened DisplayMode Background.
	- Added variable SRange and fixed stereo mode.
	- Finished code for slab and back-clipping (all files). Added code
	for commands "slab world <number>" and "slab world origin",
	and equivalent for depth mode.
	- Finished code for manipulation of rotation centers; made
	center visible in display mode; added centre command syntax
	from rasmol 2.7.2.1.
	- Added commands:
	"centre world": Translate world origin to centre of screen,
        	world is translated at the same time;
	"centre origin": Bring center to world origin
	"centre origin centre": Translate world origin to actual
        	rotation center; this is a "world" destructive command!
[04/01] PV
	- Added new panes to status bar.
	- command.c: errorcount versus rastop 1.3.1, corrected bug in
	executecommand.
	- Corrected ExecuteTitleCommand() and SetTitle() for new titles.
	- Changed edit menu; put accelerator key to "enter rasmol
        	command".
	- Modified command panel, added world button.
	- Modified DisplayMode.
	- Added commands "molecule hide" and "molecule Sow" (see comdline
	and pickatoms + all molset->visible references).
	- DisplayRibbons(): Corrected alignement of DNA helix.
[03/01] PV
	- Added fast drawing (variable FastDraw).
	- Added variable DrawWorldAxes.
[02/01] PV
	- Added variables WAxe[], Zo[], ZRange, and DRange.
	- transfor.c: Added functions PrepareWorldTransform(), ResetWorldAxes.
	- vector.c/.h: Added function CopyMatrix3(), IdentityMatrix3().
	- Adjusted ReSizeScreen() code.
	- Added zoom to comndline.c in rotate all mode; Corrected a few
	bugs in ProcessMouseMove().
	- Introduced molecule offsets MOffset[] to position molecules during
	all transformations; X/Y/ZOffset are equivalent integers used
	for calculating rendering.
	- Changed DialValue for translation to modulo[2] (free translation).
[01/01] PV
	- Added code for preferences.
	- Added code for default script in default representation.
	- rasview.cpp rasdoc.cpp: Corrected Windows 2000 bug.
	- Passed conditions on RegisterAlloc() into the function.
	- Added bond rotation code, renamed wbrotate.c brotate.c (all the
	world-rotate code is tranfered into transfor.c).
	Added ChangeBondOrder(), removed NewBond, removed RotBond mode, and
	added PickRBond picking mode.
	Added command "bond <number> <number>
        	single/double/triple/unbound".
	Added command "set picking bond rotate" and "set
        	picking rotate bond".
	Removed function RemoveBond(); Attempted to correct erroneous hbond
	and ssbond in BondRotate() by simply destroying bond lists!
	- Added code for picking lightsource in picking mode.
	- Added PickLight mode;
	- Added F1 help.
	- Added new icons in toolbar.
	- Adjusted WriteScriptFile();
	- Modified WriteScriptDots();
	- Renamed DeleteSurface() DeleteDotSurface();
	- Renamed CalculateSurface() CalculateDotSurface();
	- Added function WriteScriptSurface() in script.c;
	- Corrected bug in WriteScriptAtomSets().
[12/00] PV
	- Removed ProcessDoc() function; added ResetUserBox().
	- rasview.c cmndline.c/.h SetPickMode()
	Added code for cursor mode.
	- command.c transfor.c molecule.h (and others)
	Added PreviousTok and code for saving previous selection.
	Added flag2 for RAtom (flag is full).
	- command.c rasdoc.c/.h rastop.c multiple.c (and others)
	Added code for handling rsm files by rasmol;
	Added ErrorCount and ErrorFlag to handle wrong scriptfiles.
	- graphic.h SetCanvasTitle() SetTitle() ExecuteTitleCommand()
	SelectMolecule(): changed title code.
	- All: Removed (rastop) variable MoleculeFileName.
	Put "strcpy(Info.filename,DataFileName);" uniquely in
        	ProcessFile()with correction for "inline" files in DivertoData().
	- Transfered new 2.7.2 FetchFile function to ProcessFile()
	- Confusion on attribution of DataFileFormat. Only attribution in
	processfile() is conserved.
	- DrawFrameOne() transfor.h: Replaced ApplyTransform() by 
	ApplyTransformOne().
[11/00] PV
	- multiple.c command.c
	Transfered ZapDatabase() into multiple.c; changed name to Zapmolecule();
	created new Zapdatabase() for zapping all molecules. Added command
	"zap molecule", "zap selected" and "zap all" with "zap" synonymous of
	"zap all".
	- WriteVRMLWireframe(): typing bug corrected.
	- transfor.c/.h wbrotate.c/.h: Transfered WorldRotate to Transfor.c
	- All: Added rasmol 2.7.2 code for multiple molecules
	- IdentifyAtom(): Corrected bug with UseDepthPlane
	- transfor.c: Changed carbon cpk color to white when no hydrogen.
	Changed default cartoonheight.
[10/00] PV
	- pixutil.h/c rastop.cpp
	Changed cylinder code. Added code to draw cylinders with flat cap.
	Code still needs some fixings.
	- pixutil.h/c repres.c
	Completed cartoons code.
	- rasview.cpp rasdoc.cpp mainframe.cpp pannel.h/.cpp
	Reorganized automode.
	- LightX, LightY, LightZ, LightLength, ColConst, DefaultTok,
	LightsourceTok, HeadlightTok
	Added multidirectional lightsource.
	- command.c
	Corrected bug in parsing of shadepower command.
	- render.c repress.c pixutil.c
	Fixed use of InvertY with LightDot and switched to ORIGINAL lighting.

up.gif (892 bytes)RasTop1.3.1 ChangeLog 

This log summarizes changes from RasTop version 1.3 to RasTop version 1.3.1
[03/01] PV
- mainframe: Changed font generation;
        changed selectbar initialization.
        - Added profile "Selection" for the select bar.
        - render.c/IdentifyAtom(): Made atoms behind the depth plane not
        identified.
          (thanks to Ian Gibbons for reporting the bug and other
        suggestions)
        - command.c: Added ErrorCount, ErrorFlag and MAXERROR.
        - mainframe: Removed function OnDropFile to allow dropping of pdb files.
        - rasview/rasdoc: Added macro STOPTIMER and STARTTIMER
        - pannel.ccp/h: Changed auto by spin. Made variable m_autostatus
        private.
        - Changed two icons in the resources.
        - transfor.c: Changed carbon cpk color to white when no hydrogen.
        - script.c: Corrected output error in WriteAtomSelection.
        - command.c: Corrected bug in parsing of shadepower command.
        - script.c: Added exittok at the end of saved script.
        - rasview/rasdoc: Corrected bug in drawing and removed unuseful code.
        - repres.c: Corrected drawing of ribbons at large zoom.
        - render.c/displayboxes: Corrected bug on axe position when moving
        center.
        - transfor.h: Removed duplicated variables
        - SetPickMode, CentreTranform: Changed RedrawFlag.
        - Switch Help command to mainframe and activate help on F1 

up.gif (892 bytes)RasTop1.3 ChangeLog

Consult also RasMol changeLog and RasMol2.7.1 changeLog.
This log contains all changes made to RasMol
        source independently of RasTop. Initial work was done on version 2.6.4,
        but was quickly updated to the newer version 2.7.1 by Herbert Beirnstein.
[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 command.c (ExecuteCommand())
        Added command "trace dots <value>" allowing trace dots
        representations of varied radii.
[21/09/99] PV command.c / render.h /
        render.c / transfor.h .c
        Added four new picking modes:
        - select an atom: PickAtome
        - 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.
[21/09/99] PV cmndline.c (ProcessCharacter())
        Added <Esc> character to interupt script pausing.

[21/09/99] PV 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.
[21/09/99] PV script.c
        Completed scripting for "trace dots <value>", backfade,
        shadow,and stereo.
[21/09/99] PV
        Compiling problems with RasMol 2.7.1 files (VisualC++ 5.0)
        - declared InterruptPauseCommand() and ResumePauseCommand()
          in command.h
        - declared TestDisulphideBridge() in molecule.h
        - explicited all conversions long to short in infile.c /*casting*/
        - excluded all unreferenced variables in infile.c /*unreferenced*/
        - included graphics.h in molecule.c
        - fixed casting in drawstar() and clipstar() in pixutils.c
        - declared DefineShade() in transfor header
        - fixed casting and referencing in script.c
        - declared LoadDotsFile() in repres header
        - declared SetFontStroke() in pixutil header
        - missing WritePOVRay3File() declaration in script header
        - declared cif_free_handle() in cif header
        - missing declaration of cif_parse in cif.h
[22/09/99] PV repres.c
        Fixed bug in DisplayRibbon() that produced cartoon like structure in
        ribbons covering only parts of chains or mixing ribbon types.
[22/09/99] PV abstree.h .c
        Fisrt step for saving atomsets & identifiers in RasMol scripts (SetSize
        to 100 and SymEntry and SymbolTable in header).
[22/09/99] PV repres.h command.c
        Improved label picking mode (LabelFormat to store the current label
        string,the command "label {<string>}" is disabled in
        picking mode but save the format).
[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!
[28/09/99] PV transfor.c
        Fixed bug (?) with stars, making them mutually exclusive with spheres.
        Adjusted bondmode in EnableWireframe().
[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())
[01/10/99] PV command.c
        Fixed initialization SeqFormat and CalcBondsFlag (ExecuteConnectCommand);
        Fixed bug in coloring strands (missing strandtok).
[07/10/99] PV command.c abstree.c script.c render.c
        Changed coordinates and phipsi output, modified output for showcommand;
        Adjusted threshold in DisplaySelected.
[07/10/99] PV cif.c
        Fixed memory allocation bug (VisualC++?) in cif_make_handle;
[07/14/99] 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.
        Added variable ModelInclude to select either in one model or in all
        models;
[17/10/99] PV command.c
        Modified CommandError output (shortened file name).
[19/10/99] PV
        Release RasTop1.1
-------------------------------------------------------------------------
[20/10/99] PV script.c
        Added temporary output on command line when null file in WriteScriptFile,
        which edits a rasmol header file.
[22/10/99] PV command.c transform.c .h
        Added function ReadAtomSelection() which escapes the parser under
        the form:"select (< or >) x1[-x2],...,xi[-x(i+1)](> or <)"
        where '<' starts or continues an atom selection, '>' continues or stops
        the current selection, - indicates a bloc of consecutive atoms, and xi
        are atomnos. Required DisplaySelectCount() to be global.
[27/10/99] PV command.c script.c .h graphics.h
        Added function WriteAtomSelection() and WriteScriptPosition();
        Added commands "clipboard selected", "clipboard
        position" "clipboard
        image" and "clipboard paste" and corresponding functions:
        ClipboardImage( )
        ClipboardPosition( )
        ClipboardSelection( )
        ClipboardPaste( )
[29/10/99] PV command.c script.c .h graphics.h
        Added function WriteScriptAtomSets() to write atom sets to the script.
[02/11/99] PV repres.h transfor.h
        Added variables DotR,DotG,DotB,DotDensity, and UseDotColPot for
        saving dot characteristics.
[09/11/99] PV command.h/.c
        Added MoleculeFileName variable and SaveRsmMolecule() function;
        Modified save command to address "save <filename>" to
        SaveRsmMolecule().
[09/11/99] PV rasmol.h command.c

        Added ProcessDoc and SaveDoc functions which allows add-ons (like
        RasTop)to react to newly loaded molecules, zapping, and saving of 
        molecular data.
[22/11/99] PV molecule.c script.c
        Modified CreateNewBond() to prevent pdb files without atom description;
        Adjusted ProcessFile() and FetchFile() to allow attribution
        of DataFileFormat when no Database is created.
        Modified output of WriteScriptHBonds();
[12/08/99] PV command.c
        ResumePauseCommand( ), added '\r' to terminate curline (bug? resulted in
        non opening of subscripts when LF/CR in the script file).
[12/08/99] PV rasmol.h command.c
        Added function RefreshView() in rasmol.h to replace RefreshScreen() in
        command.c to allow refreshscreeen from inside RasMol.
[12/09/99] PV command.c
        Added Beginwait/endwait in ProcessFile().
[12/10/99] PV command.c token.c
        Added CopyTok for "copy" command equivalent to
        "clipboard" and shorcut for "paste" command.
        Added SELECTION as an homonymous keyword to SELECTED
-------------------------------------------------------------------------
Started version 1.3.
[12/14/99] PV transform.c and others
        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. Changed DrawTwinVector to
        ClipTwinVector in DisplayWireFrame() (render.c).
[12/14/99] PV
        Added variables ShiftS and UseAutoDepthCue that adjust DepthCue
        with slabbing.
[12/17/99] PV render.c
        Added centre correction in DisplayBoxes().
[12/18/99] PV
        Added code for backclipping based on ZOffset. New variable UseDepthPlane
        and DialValue[8].
[12/20/99] PV script.c
        Added more precision to rotate, translate, zoom, and slab commands in
        WriteScriptFile() and WriteScriptPosition(). This is important
        for passing cliboard content and saving centre. Fixed centre scripting.
[01/03/00] PV transfor.c
        Fixed bug (and modified) function Power() to handle Specpower.
[01/14/00] PV molecule.c
        Set Info.filename as alternative title.
[01/16/00] PV transfor.h/.c token.h/.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.
[01/16/00] PV cmndline.c PerformMouseFunc()
        Corrected MM_CLIP to access clipping with the mouse;
        Added MM_DEPT to access backclipping (depth) with the mouse.
[01/16/00] PV
        Completed 32-bits version. Code a bit messy, especially for
        clipboard and background operations. Will probably not compile on
        other compilers. bmp file saving not done in 32 bits.
        Added code for command "set dot <value>" which adjusts
        the size of the dots in a rather rough way.
[01/17/00] PV script.c
        Corrected bug in WriteScriptAtoms().
[01/17/00] PV render.c
        Solved problem in regenerating background in 32 bits in ReSizeScreen().
[01/17/00] PV command.c ExecutePauseCommand()
        Added a RFRefresh for refreshing RasTop screen.
[01/28/00] PV render.c ResetRender()
        (Bug?) Finally found old problem with shadows in RasTop. Missing
        a ResetVoxelData() on zapping. This is a potential source of problems
        when successively opening scripts containing shadows in RasMol.
[01/30/00] PV command.c
        Added command "select view" and corresponding code, which allows to
        select a part of a molecule based on screen display.
[01/31/00] 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";
[02/02/00] PV pixutil.c render.c
        Added function ClipDashLine();
        Changed display of cells with dashed lines in DisplayBoxes().
[06/01/00] PV
        Finish help; Release version 1.3

up.gif (892 bytes)RasMol 2.7.1 ChangeLog

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

up.gif (892 bytes)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.

up.gif (892 bytes)RasMol 2.7.0.1 ChangeLog

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.

up.gif (892 bytes)RasMol 2.7.0 ChangeLog

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

up.gif (892 bytes)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

up.gif (892 bytes)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).

up.gif (892 bytes)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.

up.gif (892 bytes)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

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Last updated on Tuesday, January 01, 2002