This log contains all changes made to RasMol source independently of RasTop since rastop version 1.0 [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 " 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 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 ", 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 {}" 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 " to SaveRsmMolecule(). [09/11/99] PV rasmol.h command.c Added ProcessDoc and SaveDoc functions which allows add-ons 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. The following modifications are attemps to improve rasmol drawing. The code probably needs some improvment. [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 " 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 part of a molecule based on screen display. [01/31/00] PV command.c Added code for selecting atom areas with mouse: - change PickAtom() function name in PickAtoms(); - change 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(). [08/27/00] PV Release RasTop1.3