ChangeLog 4
[06/06/94] RS raswin.c rasmol.h molecule.c render.c
Completed port of RasMol v2.4 to Windows NT.
Thanks to
David Stranz and David Digby.
[05/06/94] RS outfile.c
Corrected bug in generating Vector Postscript
in RasWin,
resulting in the image appearing inverted on
the page.
Thanks to Tomasz Heyduk.
[01/06/94] RS raswin.c raswin.rc raswin.idm
Added CHARMm format files to the RasWin file
open dialog box
and added the "Strands" menu item to
the "Display" menu.
[01/06/94] RS outfile.c transfor.c transfor.h
Optimised representation of molecule in
generated RasMol
script files by detecting "cpk"
colours and VdW radius.
[31/05/94] RS outfile.c
Added complete support for writing out the
current molecule
representation in a RasMol script file using
"write script".
[31/05/94] RS molecule.c transfor.c
Improved lazy calculation of hydrogen bonding
and disulphide
bridges, hence "hbonds off" and
"colour hbonds none" no longer
force evaluation.
[27/05/94] RS command.c render.c transfor.c
Modified the DisplayRibbon routine to allow the
simultaneous
display of strands and ribbons. Removed the
"set ribbons"
command and replaced it with
"ribbons" and "strands".
[26/05/94] RS transfor.c render.c
Changed the way that ribbons are selected and
rendered in
different colours. This brings the ribbon
rendering in line
with alpha carbon position and colouring.
[23/05/94] RS molecule.c
Corrected bug in LoadAlchemyMolecule that
resulted in molecules
having the wrong chirality. Thanks to Mikhail
Matrosovich.
[20/05/94] RS outfile.c
Improved the Molscript script file interface.
The RasMol
"write molscript" command now stores
the scaling, translation
and slabbing (z-clipping) information. Thanks
to Kevin Gardner.
[20/05/94] RS raswin.c
Corrected bug that caused the DIB copied to the
clipboard or
DDE'ed to another application to have the wrong
colour map.
[19/05/94] RS molecule.c
Corrected bug in RasMol that caused it to
report far too many
ladders in DSSP. Changed references to
"Ladders" to "Strands".
[19/05/94] RS molecule.c molecule.h command.c tokens.h
Added support for CHARMm format co-ordinate
files. Thanks to
Charles Brooks.
[18/05/94] RS molecule.c
Removed interchain bonding. This makes loading
a multi-chain
protein faster and allows for RMS fitting with
RasMol.
[18/05/94] RS command.c tokens.h transfor.c transfor.h
render.c
pixutils.c
Added a second colour to RasMol strands
ribbons. Hence, the
command "colour ribbons1 blue" and
"colour ribbons2 red"
draws blue ribbons with the outmost stands in
red.
[17/05/94] RS command.c render.c render.h
Renamed the command "set dots" to
"set radius" and added the
command "set solvent" which controls
the dot surface as
either VDW or solvent accessible. The radius
controls either
the VDW radius or the Solvent Probe Sphere
radius.
[16/05/94] RS raswin.c
Added scroll bar and terminal history to the
RasMol command
line window. Improved scrolling in resized
windows.
[12/05/94] RS raswin.c rasmol.c mswin31.c transfor.c
Corrected bug in RasMol that resulted in the
"specular",
"specpower" and "ambient"
parameters not being reset by a
RasMol "zap" command and fixed
initial RasWin CMap.
[12/05/94] RS command.c tokens.h abstree.c abstree.h
Added the atom property "elemno" that
uniquely identifies
each atoms element type, hence "select
elemno=26" identifies
all sulphur atoms.
[12/05/94] RS molecule.c
Added a test to check if the PDB x, y and z
co-ordinates of
an atom are 9999.000 indicating an XPLOR pseudo
atom. Thanks
to Chris Littler and Harren Jhoti.
[11/05/94] RS command.c render.c render.h
Added the command "set dots
<value>" to set the probe
sphere radius for calculating the solvent
accessible
surface of a protein.
[11/05/94] RS render.c
Corrected bug when drawing thin cylinders since
the change
to DrawTwinLine for axes, bounding box and unit
cell.
[10/05/94] RS raswin.c
Corrected bug in the DDE formating of the
picked atoms
co-ordinates.
[10/05/94] RS molecule.c
Fixed bug in RasMol that incorrectly determined
the lowest
residue number in PDB files that are unordered.
Thanks to
Ken Davis.
[09/05/94] RS molecule.c molecule.h command.c render.c
tokens.h
Fully implemented the RasMol commands "set
unitcell" and
"show symmetry", these now take the
crystal symmetry
information from the CRYST1 record of a PDB
file.
[03/05/94] RS render.c
Corrected RasWin problem in DisplayRibbon
caused by rounding
when interpolating Z-coordinates with large
ZOffset.
[03/05/94] RS transfor.c
Corrected RasWin overflow bug in
ScaleColourAttrib that
caused `hot' atoms to be displayed black
instead of red.
[03/05/94] RS rasmol.doc
Corrected several typographic mistakes and
errors within
the rasmol documentation. Thanks to Naoum
Salame.
[29/04/94] RS raswin.c mswin31.c
Managed to trace a RasWin colour map
initialisation problem
that occasionally caused RasWin to crash with a
GDI error or
start with wrong colour background. Thanks to
Dave Digby.
[28/04/94] RS x11win.c
Corrected buffer char types in x11win.c that
were causing
warnings on pedantic compilers. Thanks to Ethan
Merritt.
[20/04/94] RS outfile.c
Added support for vector PostScript output of
dot surfaces.
[20/04/94] RS render.c render.h command.c transfor.c
transfor.h
tokens.h
Added a Van der Waals dot surface
representation to RasMol.
The command "dots <boolean>"
enables and disables a dot
surface of the currently selected atoms.
"dots <value>" can
control the dot density, "colour
dots" colours the whole
dot surface a given colour [the default is
taken from atoms]
[20/04/94] RS rasmol.c
Corrected bug with including <unistd.h>
on Evans & Sutherland
ESV workstations.
[19/04/94] RS render.c
Solved a bug in IdentifyAtom that refused to
identify picked
non-connected atoms when bonds are being
displayed.
[19/04/94] RS molecule.c
Corrected bug in loading alchemy format files.
Atom serial
numbers were incorrect resulting in incorrect
bonding. Thanks
to Ben Gaskins.
[18/04/94] RS render.c render.h tokens.h command.c
Added the commands "set axes" and
"set boundingbox" to display
the co-ordinate axes and molecule bounding box
on screen.
[18/04/94] RS pixutils.c
Corrected bug in routines `ClipLine' and
`ClipVector' which
caused lines that clipped the bottom of the
screen to bend.
[18/04/94] RS raswin.c
Corrected bug in the DDE transfer of CF_DIB
objects for the
DDE "Image" item. Thanks to Dave
Digby and Ken Davis.
[15/04/94] RS rasmol.c raswin.c abstree.h transfor.c
molecule.c
molecule.h
Better support for the display of small
molecules. Smaller
bond cylinder radius for `sticks' images of
molecules with
less than 256 atoms, and use unadjusted Van der
Waals radius
for molecules containing explicit hydrogen
atoms.
[15/04/94] RS molecule.c
RasMol now uses the connectivity specified in
PDB CONECT
records when displaying molecules with less
than 256 atoms,
i.e. small compounds. Thanks to Brian
Dunford-Shore.
[14/04/94] RS rasmol.h raswin.c
Extended the range of items exported by DDE to
include the
picked atom's co-ordinates and the image being
drawn on
the screen (transfered as CF_DIB).
[13/04/94] RS raswin.c
Improved the processing of WM_SIZE handling by
increasing
XRange to be long aligned rather than
decreasing it. This
avoids the occasional black line down the side
of the screen.
[13/04/94] RS transfor.c
Corrected bug in transfor.c that cleared more
entries in
in the StructShade table than there were. This
sometimes
caused RasMol to crash later during keyword
lookup.
[12/04/94] RS rasmol.c
Changed the TERMIOS handling section to support
FreeBSD1.1
using XFree2.x. Special thanks to Pedro A M
Vazquez.
[11/04/94] RS molecule.c
Corrected bug in RasMol that caused residues
with different
insertion codes to be placed in the same group.
They're now
placed in consecutive Groups but with the same
serial number
hence may be "renumbered". Thanks to
Anne Cleasby.
[07/04/94] RS molecule.c
Corrected bug in sizing molecule read from an
MDL Mol file.
[05/04/94] RS molecule.c molecule.h command.c tokens.h
raswin.c
rasmol.c
Added support for reading in files in Molecular
Design Ltd's
(MDL) Mol file format.
[30/03/94] RS rasmol.doc
Corrected HTML bug that caused the NCSA PC
Mosiaic viewer to
crash when displaying rasmol.html.
[28/03/94] RS pixutils.c
Corrected a bug in RenderPolygon that caused a
floating point
division by zero error and huge/far segment
problems on the
IBM PC.
[25/03/94] RS outfile.c
Finished implementing correctly intersecting
spheres when
outputing vector postscript. However, this may
cause
problems for low memory laser printers.
[23/03/94] RS transfor.c
Corrected bug that set the default scale too
large for very
small molecules.
[22/03/94] RS molecule.c
Handle incompletely specificed
@<TRIPOS>MOLECULE records in
Sybyl Mol2 files such as those exported from
InSight. Handle
`small molecule' atom names (containing serial
numbers) in
PDB files. Thanks to Martin Hargreaves
[18/03/94] RS pixutils.c
Improved the polygon rendering algorithm.
RasMol now displays
solid ribbons as gouraud rather than constant
normal shaded
polygons.
[18/03/94] RS rasmol.c
Added the command line options
"-pdb", "-alchemy", "-mol2"
and "-xyz" to specify the format of
the file given on the
command line.
[17/03/94] RS molecule.h command.h
Increased the maximum filename length from 80
to 256 chars.
[15/03/94] RS outfile.c outfile.c command.c
Improved the quality of "vectps"
output. RasMol now correctly
handles intersection of spheres in vector
PostScript output.
The use of `cartoon' outlines is now controlled
by the
"set vectps <boolean>" command.
[14/03/94] RS x11win.c
Change Visual detection code for 24bit and
32bit displays to
support both TrueColor and DirectColor. This
adds support for
the HP 735 CRX-24. Special Thanks to Thomas
Lew.
[11/03/94] RS outfile.c
Improved speed of vector PostScript printing by
performing
sphere and bond culling before
sorting/generating output.
[11/03/94] RS molecule.c molecule.h command.c tokens.h
raswin.c
Added support for MSC XMOL's XYZ format files.
[10/03/94] RS molecule.c molecule.h command.c tokens.h
raswin.c
Added support for Sybyl .mol2 file format for
reading in
a file (i.e. "load mol2"). Read small
molecule connectivity
from "alchemy" and "mol2"
files, if it exists.
[09/03/94] RS x11win.c
Allow the EIGHTBIT version of RasMol to display
on 8-bit
grey-scale X displays. Special thanks to Gerald
Loeffler.
[09/03/94] RS molecule.c
Allow backbone traces to be drawn to unknown
residues
that contain an alpha carbon.
[04/03/94] RS !Announced the public release of RasMol
and
RasWin version 2.3, 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.