ChangeLog 2
[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.