ChangeLog
RasMol 2.7.2.1

	***NEW*** HPUX_11, Solaris 2.5, OpenVMS Binaries available. ***NEW***
		Version		MAC PPC binaries		MSWIN binaries	RasWin Help File		LINUX binaries	RasMol Help File		MORE ...
		2.7.1		8     32		8	raw gz		8 16 32	raw gz
		2.7.1.1		8     32		8	raw gz		8 16 32	raw gz		HPUX 11   Solaris 2.5
		2.7.2		8     32		8	raw gz		8 16 32	raw gz
		2.7.2.1		8     32		8	raw gz		8 16 32	raw gz		HPUX 11   Solaris 2.5   OpenVMS
	See Source Code and Binaries for more.

Molecular Graphics Visualisation Tool
2 April 2001

[27/05/02]	HJB mswin31.c
		Reintroduced lost ZRange definition, intialized last
		2 DialValue elements.

[07/05/02]	HJB *.html
		Add links for HPUX, Solaris 2.5, VMS binaries.
		Note that rasmol.doc needs updating.

[07/05/02]	HJB vms/
		Changes for OpenVMS compilation

[07/05/02]	HJB Imakefile, cif.c, cif_ctonum.c, command.c,
		infile.c, molecule.c, outfile.c, rasmol.c, rasmol.h,
		render.c, x11win.c
		HPUX cleanup and make 64-bit clean

[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.

[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. 

[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		

[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.

[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.

[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 2.7.0.1 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 2.7.1 Help File |

| Release README |



Updated 27 May 2002.

Herbert J. Bernstein

Bernstein + Sons, 5 Brewster Lane, Bellport, NY 11713-2803, USA


yaya@bernstein-plus-sons.com

+1-631-286-1339