[15/12/93] RS molecule.c Corrected a bug in the helix determination algorithm that resulted in helices sometimes being one residue shorter than Kabsch and Sander's DSSP output. Thanks to Shane Sturrock. [15/12/93] RS x11win.c Modified the way that FetchEvent waits for the next XEvent to allow interactive use on VMS systems and UNIXs without TERMIOS or select(2) functions. [14/12/93] RS command.c Made several changes to ensure that the latest extensions to RasMol compile on VMS systems without warnings/errors. [13/12/93] RS x11win.c raswin.c Ignore mouse movements close to initial starting position. [13/12/93] RS outfile.c Corrected bug in "write script" that caused magnifications such as "zoom 140" to be written as reductions, "zoom 40". [10/12/93] RS x11win.c Changed the (default) menu fonts from 12pt to 14pt and fixed a serious `sprintf' bug, to avoid the program crashing on machines without the required fonts, such as NCD X-terminals. Very special thanks to Norm Yamane for the bug fixes. [10/12/93] RS rasmol.c Removed the "static" declaration qualifier from HandleEvents in both the function prototype and main definition to avoid a feature of the new IRIX compiler that only resolves forward references in the same file at link time! [02/12/93] RS tokens.h command.c molecule.c abstree.c abstree.h Added the predefined set "water"/"waters" that contains all the heterogenous water molecules; "H0H","WAT" and "H20". Also allow PDB residue TRY as a synonym for TRY, CPR as a synonym for PRO and also CSH, CYH and CSM for CYS. [01/12/93] RS molecule.h Removed "extern" definitions of [Min,Max][Main,Heta]Atom from molecule.h that caused the VMS linker to generate unresolved symbol errors/warnings! Thanks to Carl David. [29/11/93] RS rasmol.h Check to prevent redefinition of "PI" if its defined in , to avoid Linux errors. Thanks to Robert Herzog. [25/11/93] RS outfile.c Corrected bug in RasMol "write script" command that caused some problems of the axes had been rotated by more than 90 degrees (caused by asin). Also fixed RasWin "write script". [25/11/93] RS command.c Fixed bug in RasWin that caused molecules to translate and rotate differently to the UNIX version due to INVERT. [24/11/93] RS outfile.c outfile.h command.c tokens.h Prototype implementation of a RasMol "write molscript" command to generate MolScript script files of the current image. It currently only outputs the molecule's secondary structure to generate a ribbon diagram. [24/11/93] RS molecule.c molecule.h command.c command.h Modified RasMol to internally keep track of the currently loaded molecule's original filename. [23/11/93] RS outfile.c outfile.h command.c Added the RasMol "write script" command to generate a RasMol script file containing current parameter values and viewing transformation. [23/11/93] RS molecule.c Convert Alchemy atom names to upper case, and use the file line number as the atoms serial number to avoid problems. [23/11/93] RS transfor.c transfor.h command.c Uncovered RasMol bug that caused RasMol to not execute rotations in the order they appear in a script file and applied all X, Y and Z rotations once the file was loaded. [23/11/93] RS raswin.c Modify DDEExecuteCommand() to redraw the screen after each DDE Execute command list. This solves the bug caused by moving the redraw processing to handle the scroll bars properly. [22/11/93] RS command.c Added the RasMol "background" command which is synonymous with the command "set background" for compatability. [22/11/93] RS raswin.c Modified RasWin to only accept mouse movement transformations only after RasWin detects the preceeding mouse button press. This avoids spurious translations after using dialog boxes. [22/11/93] RS command.c Corrected `logic' problem in RasMol that caused the program to exit sucessfully if a menu option is selected while loading a molecule. Menu options are now ignored during loading. [22/11/93] RS render.c Corrected bug in IdentifyAtom() that sometimes caused RasMol to crash when picking "Ball & Stick" representations by not determining the Chain and Group of the selected bond's atom. [19/11/93] RS raswin.c Fixed bug in RefreshScreen handling that only redrew image if DispatchMessage() was called from the main loop. The screen is now checked for refresh after each Windows message causing the molecule to rotate whilst scrolling. Added the UNIX mouse movement/key combinations to translate/rotate/zoom and slab the molecule. Picking follows the same rules as RasMol. [19/11/93] RS mswin31.c Corrected bug in UpdateScrollBars() moved the button in the opposite direction to UNIX. Changed TranferImage() to force the screen to be redrawn immediately. [18/11/93] RS x11win.c Added mouse control of rotation, translation, zooming and slabbing by moving mouse while pressing down a mouse button and optionally holding either the [shift] or [control] keys. Picking is by pressing/releasing mouse in the same position. [17/11/93] RS command.c Added "reset" command to initialise all the dial values to their default values. Modified the new filename parsing to avoid "save xyz.pdb" generating the file ".pdb" and issuing an error message. File types must be followed by whitespace. [17/11/93] RS transfor.c Corrected bug in ColourBackAttrib that resulted in the RasMol "colour backbone" command colouring everything. Thanks to Shane Sturrock. [15/11/93] RS x11win.c Handle ICCM "WM_DELETE_WINDOW" request from window manager. Added fatal XIO error handling and `gracefull' shutdown. [08/11/93] RS command.c Filenames no longer need to be delimited with either quote or apostrophe characters in the RasMol load, script, write and save commands. Filenames beginning with a tilde are now `globbed' on UNIX systems. Space characters are ignored at the start of filenames. Try compression file extensions and environment search paths when loading a file. [05/11/93] RS command.c transfor.c transfor.h Permit magnification over 200% based upon the size of the molecule. Zoom only reports an error if the maximum "image" size of a sphere (about 120 pixels radius) is exceeded. This leads to interesting behaviour when enlarging the screen at maximum magnification ... objects stay the same size! [05/11/93] RS command.c molecule.c molecule.h Added the ability to read in compressed file formats. Currently supported compression formats are UNIX `compress' (".Z") and GNU gzip (".gz" and ".z") compression formats. [05/11/93] RS abstree.h Increased the default VDW radius for unknown atoms to 1.44A. [01/11/93] RS command.c command.h rasmol.c raswin.c Disable slabbing and shadows after a RasMol "zap" command. [01/11/93] RS molecule.c Remove the use of EndOfData in molecule.c that was creating problems for the RasMol zap command on certain PDB files. [22/10/93] RS molecule.c Modified FetchRecord to use either line feed '\n' or carriage return '\r' as line terminator to support Mac format files. [22/10/93] RS rasmol.c Placed HandleEvents function prototype inside #ifdef __STD__ after changing it to take a paramter. Thanks to Joseph Warden. [20/10/93] RS rasmol.c Include instead of , to allow the program to be compiled under 386BSD. Thanks to Robert Miller. [17/10/93] RS rasmol.c Include if _AIX is defined for IBM RS/6000s under AIX 3.2. Thanks to John Harvey. [15/10/93] RS rasmol.c Added #include to rasmol.c, when _SEQUENT_ is defined to allow struct fd_set to be properly defined. [15/10/93] RS rasmol.c Solved problem that LexState is not defined when TERMIOS is undefined, and never initialised. Thanks to John Harvey. [15/10/93] RS !Announced the public release of RasMol and RasWin versio 2.2, available by anonymous FTP from ftp.dcs.ed.ac.uk [129.215.160.5] in the directory /pub/rasmol. The announcement was made in both bionet.software, bionet.announce, sci.bio, sci.chem, comp.graphics.visualisation newsgroups. [13/10/93] RS !RasMol/RasWin version 2.2 presentation given at Glaxo Group Research, Greenford, Middlesex.