ChangeLog 5

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[25/10/94] RS molecule.c molecule.h command.c abstree.h
Once again improved the method rasmol uses to determine
bonding by maintaining the covalent radius of every element.
The "connect <boolean>" command has been implemented.
[24/10/94] RS rasmac.c molecule.c outfile.c script.c
Associated a file creator, a file type and an icon with all
of RasMac's output files; clicking on kinemage output starts
Mage. Fixed compatability problem with metrowerks C compiler.
[24/10/94] RS raswin.c mswin31.c command.c transfor.c render.c
outfile.c
Made several changes to RasMol to allow it to compile under
Microsoft Windows. Added command line options to raswin.
[24/10/94] RS rasmac.c rasmac.rsrc
Added the ability to detect a file's type information when
using apple events. Also added handing of 'mMOL' signature
used by MDL's MOL files. This allows Mol files and RasMol
scripts to be treated sensibly when dragged & dropped.
[20/11/94] RS x11win.c
Added an XQueryExtension test to OpenDials to avoid problems
on servers that don't understand XInputExtension. Changed
MITSHM to use XQueryExtension rather than the undocumented
XShmQueryExtension call. Fixed MacX popup menu problem.
[20/11/94] RS transfor.c transfor.h command.c tokens.h
Implemented the RasMol "colour dots potential command".
[19/10/94] RS rasmac.c rasmac.rsrc
Implemented File Open, Save and Export Dialog boxes.
[18/10/94] RS x11win.c rasmol.c graphics.h command.c
Finished completely rewritting the X User Interface to comply
with the OSF Motif guidelines.
[14/10/94] RS abstree.c
Added the american spellings of the elements ot RasMols'
exception table; cesium, aluminum and sulfur.
[13/10/94] RS applemac.c rasmac.c
Implemented RasMac's About and Fatal Error Message Dialog
boxes. Also implemented "paste" into the terminal window.
[12/10/94] RS x11win.c
Fixed a bug in RasMol caused by displaying a 32bit image
on a machine with the opposite byte order, e.g. AXP & SGI.
[12/10/94] RS applemac.c
Fixed bug in ClipboardImage and improved printer handling.
[11/10/94] RS rasmac.c applemac.c rasmac.rsrc
RasMac now interprets the `core' Apple Events and `works'
under MacMosaic. At present assumes all files are PDB data.
Implemeted "Print", "Copy" and "Page SetUp" menu options.
Fixed some portability problems for Metrowerks C.
[10/10/94] RS outfile.c
Implemented generation of 32bit PICT files.
[07/10/94] RS outfile.c outfile.h command.c tokens.h
Added the ability to generate PICT images on all platforms
when running the 8bit version of RasMol.
[07/10/94] RS command.c command.h
Avoided problems zooming when no molecule is loaded. Made
TokenValue a Long, this corrects bug in over zooming.
Forced function prototypes on Macs as well as ansi C & PCs
[07/10/94] RS x11win.c
Provided (compromise) better support for 32/24bit X displays
that are not RasMol endian, this displays images correctly
on the screen but generates incorrect raster files!
[06/10/94] RS script.c command.c command.h
Added file format to the load statement and added UNIX style
scripting comment to the generated RasMol scripts.
[06/10/94] RS command.c command.h
Fixed bug in RasMac that caused file names to be converted
to upper case and truncated at the first space [like RasWin].
[06/10/94] RS Imakefile rasmol.h command.c rasmol.c
Improved the RasMol Imakefile. Added much better support
for HP-UX version 9.x. Special thanks to Richard Lloyd.
[06/10/94] RS render.h
Fixed Ribbons bug caused by isqrt on sun386i machines!
[28/09/94] RS applemac.c
Implemented dither mode CopyBits transfers when displaying
on screens with less than 256 colours.
[26/09/94] RS rasmac.c applemac.c
Reorganised mouse movement processing using null events similar
to the Windows version. Implemented all 'MouseMode's using the
option and command keys. Added 'Edit' Menu to main Menu.
[26/09/94] RS molecule.c
Treat 'END' records identically to 'TER' records, allowing PDB
files to be concatenated.
[23/09/94] RS rasmol.h
Fixed a problem with the "ToUpper" macro on the Evans and
Sutherland ESV caused by non-ansi C compiler (like sun386i).
[23/09/94] RS molecule.c
Made several changes to the processing of PDB files. TER
now forces a split between chains (with identical chain idents)
Protein mainchain hydrogen bonding only within a single chain.
[23/09/94] RS x11win.c
Extended RasMol's handling of dials boxes to allow the use of
Silicon Graphics' "Absolute" mode dials box. This fixes several
usability problems. Thanks to Steve Jordan.
[22/09/94] RS abstree.c
Made '#' synonymous to the wildcard '?' in atom names.
[22/09/94] RS script.c
No longer comment out the load command in scripts generated
by the "write script" command. Thanks to Paul Charifson.
[16/09/94] RS tokens.h transfor.h transfor.c command.c
Introduced the colour scheme "charge". This is identical
to temperature except high values are blue, low are red.
[16/09/94] RS graphics.h applemac.c transfor.c
Corrected bug in 32bit RasMol when using more than 256
colours, e.g. "colour group". Implemented 32bit Mac version.
[15/09/94] RS x11win.c
Finally corrected problem with colour map flashing on SGI
Personal Iris Machines caused by Enter & Leave Notification.
Deleted unused functions "AllocSharedMem" and "FreeSharedMem".
[15/09/94] RS rasmac.c applemac.c render.c command.c command.h
Ported RasMol to compile on both the Apple Machintosh
and the PowerPC (native) using the Metrowerks C compiler.
[15/09/94] RS abstree.h abstree.c
Revised the Van der Waals radii for all the elements in
the periodic table. Atomic symbol 'Lw' is same as 'Lr'.
[14/09/94] RS command.c
Added the function FetchFloat to allow the user to specify
real (fixed point) values. All commands taking distances in
RasMol units (including "set radius" and "within") may now
also specify real values in Angstroms. "Slab", "zoom",
"rotate" and "translate" may also take non-integral values.
[14/09/94] RS molecule.c
Extended RasMol's handling of CONECT records using the
'pseudo-convention' that double and triple bonds are
specified twice and three times respectively. Thanks to
Jeff Blaney and Dave Weinenger.
[14/09/94] RS command.c
Improved the syntax of RasMol atom expressions. It is now
possible to specify a chain after a residue number or range
of residue numbers, e.g. select 5-8:a, 4b, 1:1, 6:*
[14/09/94] RS script.c script.h
Modified the algorithm used for outputing bonds (including
backbone, hbonds and ssbonds) in WriteRasMolScript. This
significantly reduces size of some resulting script files.
Also corrected a bug outputing scripts containing ribbons.
[11/09/94] RS rasmac.c applemac.c RasMac.rsrc
Completed initial port of RasMol to the Apple Machintosh.
All that remains to be done are the apple specific dialog
boxes and apple events.
[01/09/94] RS command.c
Corrected a bug in LoadFile that caused the file depth to
be reset. This resulted in `DisplaySelectCount' showing
the result of each operation in a RasMol script.
[01/09/94] RS script.c script.h outfile.c outfile.h
Split the RasMol module "outfile", to produce a new module
"script" responsible for generating script like output
files. This avoids the 32K per segment limit on the Apple
Machintosh.
[09/08/94] RS transfor.c
Corrected bug in CPKColourAttrib that assumed there were
only seven CPK colours. This caused compounds containing
heavy atoms to be displayed in the wrong colour.
[09/08/94] RS pixutils.c
Corrected two bugs that were producing incorrectly drawn
vectors. The first in ClipVector resulted in lines never
being partially clipped, the other a bug in DrawTwinVector.
[08/08/94] RS outfile.c
Improved quality of MolScript and Kinemage output files.
[04/08/94] RS transfor.c transfor.h render.c
Improved implementation of shadowing using the fact that
the inverse of a general rotation matrix is its transpose.
This should improve the RasMol critical path!
[02/08/94] RS molecule.c
Implemented the function ReadPDBCoord to allow RasMol to
read in Chem3D format PDB files. Thanks to Henry Rzepa.
[02/08/94] RS command.c
Disabled the use of "save" and "write" commands in RasMol
scripts. This avoids security problems when used with the
internet. Thanks to Martin Hargreaves and Ian Dunkin.
[01/08/94] RS Makefile
Fixed problem that resulted in getpwnam only searching the
local /etc/passwd and not NIS. Thanks to Mike Hann.
[27/07/94] RS abstree.h abstree.c command.c
Added element name to periodic table to allow the use
of element names, and their corresponding plurals, as
predefined set names containg all elements of that type.
For example, "select chlorines" and "select zinc".
[22/07/94] RS raswin.c
Implemented "Drag & Drop" functionality in RasWin.
[20/07/94] RS font.h pixutils.c pixutils.h render.c command.c tokens.h
Implemented prototype atom labelling in RasMol. The commands
"label <string>", "colour label <colour>" and "set fontsize
<value>" are all implemented. Needs more work on label
placement, clipping and optimisations.
[14/07/94] RS rasmol.c
Extended cursor key mappings in to handle DEC and ANSI control
sequences for cursor keys in application mode.
[14/07/94] RS abstree.c abstree.h transfor.c transfor.h render.c molecule.c
Completed support for entire periodic table of elements. This
now uses a single structure for VdW radius and CPK colours.
The property "elemno" now specifies the atom's atomic number.
[11/07/94] RS tokens.h command.c
Made the keyword 'source' synonymous with 'script', and
the keyword 'mainchain' synonymous with the predefined
set backbone.
[08/07/94] RS tokens.h command.c molecule.c
Introduced the command 'connect' to force RasMol to
determine the bonding of the current molecule.
[29/06/94] RS molecule.c
Corrected bug in LoadPDBMolecule that resulted in CONECT
records from Pat Walter's "babel" being misinterpreted.
[24/06/94] RS outfile.c
Improved the quality of stick bonds in Vector PostScript by
shading them by their angle to the viewer.
[23/06/94] RS outfile.c rasmol.doc
Corrected problem in WriteScriptFile that resulted in
syntax errrors in RasMol script files describing hydrogen
(and disuplhide) bonding patterns. Thanks to Martti Tolvanen.
[17/06/94] RS command.c
Introduced the file format "RasMol" to the write command
which is equivalent to the "Script" format specifier.
[14/06/94] RS raswin.c
Corrected minor bug that caused the About dialog box in
Windows NT not to display the processor type. Special
thanks to Pedro Mendes.
[13/06/94] RS rasmol.doc manual.doc manual.ps
Corrected Dreiding spelling mistake in rasmol.doc and fixed
problem with manual.ps caused by a bug in the PostScript
printer driver supplied by Microsoft.
[09/06/94] RS !Announced the public release of RasMol and RasWin
version 2.4, available by anonymous FTP from ftp.dcs.ed.ac.uk
[129.215.160.5] in the directory /pub/rasmol. The announcement
was made in bionet.software, bionet.announce, sci.bio,
sci.chem, comp.graphics.visualisation, bionet.xtallography
and sci.techniques.xtallography newsgroups.