RasMol2
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Announce,
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font.h,
graphics.h,
molecule.c,
molecule.h,
mswin,
mswin31.c,
outfile.c,
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pixutils.c,
pixutils.h,
rasmac.c,
rasmol.c,
rasmol.h,
rasmol.hlp,
rasmol.sh,
raswin.c,
render.c,
render.h,
script.c,
script.h,
tokens.h,
transfor.c,
transfor.h,
vms,
x11win.c,
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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] Improve method used to atomic determine bonding.
----------------------------------------------------
Create a table of bonding radii for each element type. Modify
DetermineBonds in molecule.c to accept a boolean parameter to
specify whether a fixed radii is used or the bonding table.
By default use fixed method for molecules with >255 atoms and
the accurate method for smaller molecules. Add a command
"CONNECT" to force re-calculation of connectivity with a
boolean parameter
[3] 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.
[4] Add Gausian and MOPAC 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.
[5] Add support for thick ribbons.
----------------------------------
Add the command "set ribbons " to specify the depth
of the ribbon strand. Currently solid ribbons have zero depth.
This should also improve the gouraud shading of ribbons.
[6] 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.
[7] 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.
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