This log contains changes made from rastop 1.3 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 world axe", "reset worlddepth", "show worlddepth", "colour dots none", "position world". - repres.c: Added code to the Richards-Connolly surface. - Changed managment of dot color. [10/01] PV - Added command position. - Added help html command. [09/01] PV - pixutil.c: Corrected bug in CommonVectStep. [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 labelling. - 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 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 resetted 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". - 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 " 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 show" (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 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.