RasMol2
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Announce,
ChangeLog,
ChangeLog.1,
ChangeLog.2,
ChangeLog.3,
ChangeLog.4,
ChangeLog.5,
ChangeLog.6,
INSTALL,
Imakefile,
Makefile,
Makefile.bak,
Makefile.in,
Makefile.nt,
Makefile.pc,
PROJECTS,
README,
TODO,
abstree.c,
abstree.h,
abstree.o,
applemac.c,
bitmaps.h,
cexio.c,
command.c,
command.h,
command.o,
data,
doc,
font.h,
graphics.h,
infile.c,
infile.h,
infile.o,
mac,
molecule.c,
molecule.h,
molecule.o,
mswin,
mswin31.c,
outfile.c,
outfile.h,
outfile.o,
pixutils.c,
pixutils.h,
pixutils.o,
rasmac.c,
rasmol.c,
rasmol.h,
rasmol.hlp,
rasmol.o,
rasmol.sh,
raswin.c,
render.c,
render.h,
render.o,
repres.c,
repres.h,
repres.o,
script.c,
script.h,
script.o,
tokens.h,
transfor.c,
transfor.h,
transfor.o,
vms,
x11win.c,
x11win.o,
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# File TODO
# RasMol2, Roger Sayle
# Glaxo Research and Development
# Last Modified 24/10/94
# Current Projects:
[1] POVRay output file format.
------------------------------
Implement a "write povray" command, potentially based upon
Eric Suchanek's "pdb2pov" program much like "Personal
Computer-based Visualization of Molecular Models by
Available Ray-tracing Software", Arnold S. Dion, J. Mol. Graph.,
Vol.12, March 1994, p.41-44.
[2] Stereo Left/Right [Hardware?] Images.
-----------------------------------------
By using a data structure to describe the current frame buffer
containing information such as width, height, bytes per line
and a pointer to the buffer, it should be possible to implement
different eye views to either side-by-side in a single image
of two separate images. The latter can then be used to support
the "SGIFullScreenStereo" X extension.
[3] Add Gaussian format files.
---------------------------------------
This requires a "torsional driver" to handle atom co-ordinates
in "internal" z-matrix format. Clever parsing of these files
avoids the need for babel's internal/cartesian distinction.
[4] Write out solid ribbons and strands in vector PostScript.
-------------------------------------------------------------
Create a structure to store the complete knot description at
every alpha carbon. Depth sort these knots as part of the
painter's algorithm. Write them out in the PostScript using
suitable macros. Need to handle oblique polygons specially,
and may need to subdivide to more accuracy than when rendering
on the screen.
[5] Improve Cylinder Quality.
-----------------------------
The current algorithm for rendering cylinders for stick
bonds and backbones is slower and less efficient than it
could be. This also results in strange aliasing effect
for oblique cylinders. Correcting these problems should
permit cylinders of much large diameter, such as cylinder
representations of helices. Similarly add the ability to
have flat (and rounded) cylinder ends.
[6] PDB Directory Structure.
----------------------------
Add support for PDB's latest directory structuring using
file names of the form $RASMOLPDBPATH/cr/pdb2cro.ent.
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