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 PROJECTS
# RasMol2, Roger Sayle
# Glaxo Research & Development
# Last Modified 28/03/95
# Any person (university or company) wishing to help with any
# of the projects described below, please e-mail the author at
# "ras32425@ggr.co.uk".
[A] Machine Independent
=======================
[A1] Input Formats
------------------
[1] BioSym's .car format (including polymer extensions).
[2] Macromodel format files.
[3] Implement STAR file parser for mmCIF,MIF and MODEL files
[3] Gaussian (z-matrix) files.
[4] DayLight Chemical System's Thor data trees (.tdt)
[5] Support for complex parsing of ASN.1 mmdb
[A2] Chemistry/Biology Support
------------------------------
[1] Priestle-style Structure Smoothing
[2] Define "cisproline" from Omega angles.
[3] Crystallographic Symmetry operators.
[4] Richardson's `typed' turn definitions (instead of DSSP)
[5] "phi" & "psi" properties of amino acid residues.
[6] "helix(3)" and "turn(2)" subtypes in expressions.
[7] "set dielectric" parameter for potential surfaces.
[8] Read default SSBOND from PDB file.
[9] Determine charges using "Marselli-Gasteiger"
[A3] Output Formats
-------------------
[1] Persistance of Vision (POV) ray tracer format
[2] Write out secondary structure to PDB files
[3] Vector PostScript output of Ribbons (MolScript)
[A5] Representations
--------------------
[1] Flat Capped Cylinder Representation
[2] Full `Connolly' Solvent Accessible Surface
[3] Solid Polygonal Solvent Surfaces [like GRASP].
[4] Priestle "Ribbons" for alpha carbon only backbones.
[5] Group (Bounding) Spheres Representation
[6] Ortep Style thermal ellipsoid Graphics.
[7] Solid `Extruded Ellipse' Representation (MIDAS & Ribbons)
[A4] Rendering
--------------
[1] Zaphod (Stereo) Mode Transformation
[2] Red-Green Stereo line drawings
[3] Improved Quality Cylinder Rendering
[4] Shadow Casting from Cylinders (IA & Quadric).
[5] Back Clipping/Slabbing Plane
[6] Shadow Casting from (Ribbon/Surface) Polygons
[A5] Misc.
----------
[1] Rewrite Manual and develop tutorial introduction.
[2] RESIZE command to set resolution even in non-iteractive mode.
[3] Increased support for MolScript & PDBregion expressions.
[4] BSD `socket'-based Inter-process Communication (OML & Flex).
[5] Optimise select expressions of the form "(atomno=%d) or (atomno=%d)"
[B] Machine & OS Dependent
==========================
[B1] UNIX & X11 Window System
-----------------------------
[1] FileOpen and FileSave Dialog Boxes
[2] X Windows Resource Database (XDefaults)
[3] Graphics Tablet and Spaceball Input
[4] X11's SGIFullScreenStereo Extension
[5] Colour 85x67 Icon for 4Dwm on SGI Machines!
[B2] MS-DOS & MS Windows 3.1
----------------------------
[1] MS Windows WINDOWS.INI File Processing
[2] DDE Transfer of Valuators
[3] Develop 32/24bit graphics version of RasWin
[B3] Apple Macintosh & PowerMac
--------------------------------
[1] Select and Copy text from the command line.
[2] Simple AppleEvents to ExecuteCommands.
[3] Advanced AppleEvents to Transfer Data.
[4] Initialisation [Preference?] File.
[B4] VAX/AXP VMS
----------------
[1] Improved filename parsing and expansion!
[2] Spawn process to uncompress files.
[B5] Other Systems
------------------
[1] Acorn Archimedes (ARM) version for UK schools.
[2] Commodore Amiga version (???).
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