ChangeLog 2

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[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
<math.h>, 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 <sys/termio.h> instead of <termio.h>, to allow the
program to be compiled under 386BSD. Thanks to Robert Miller.
[17/10/93] RS rasmol.c
Include <sys/select.h> if _AIX is defined for IBM RS/6000s
under AIX 3.2. Thanks to John Harvey.
[15/10/93] RS rasmol.c
Added #include <sys/select.h> 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.