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Up Directory CCL PROJECTS
# File PROJECTS
# RasMol2, Roger Sayle
# Glaxo Research & Development
# Last Modified 24/10/94

# 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] Gaussian and Mopac (cartesian & z-matrix) files.
    [2] BioSym's .car format (including polymer extensions).
    [3] Macromodel format files.
    [4] DayLight Chemical System's Thor data trees (.tdt)
    [5] Support for complex parsing of mmdb and CIF files

[A2] Chemistry/Biology Support
------------------------------
    [1] Define "cisproline" from Omega angles.
    [2] Priestle-style Structure Smoothing
    [3] Crystallographic Symmetry operators.
    [4] Determine charges using "Marselli-Gasteiger"
    [5] Read default SSBOND from PDB file.
    [6] Reconstruct backbone from alpha-carbons [for ribbons]
    [7] Richardson's `typed' turn definitions (instead of DSSP)
    [8] "phi" & "psi" properties of amino acid residues.
    [9] "helix(3)" and "turn(2)" subtypes in expressions.

[A3] Output Formats
-------------------
    [1] Write out secondary structure to PDB files
    [2] Persistance of Vision (POV) ray tracer format
    [3] SGI's IRIS (.rgb) format raster files
    [4] Vector PostScript output of Ribbons (MolScript)

[A5] Representations
--------------------
    [1] Group Spheres Representation 
    [2] Flat Capped Cylinder Representation
    [3] Richardson/Lesk Arrow Representation
    [4] Ortep Style thermal ellipsoid Graphics.
    [5] Full `Connolly' Solvent Accessible Surface
    [6] Solid Polygonal Surfaces [like GRASP].
    [7] Priestle "Ribbons" for alpha carbon only backbones.
    [8] 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] Improved Dashed Vector (dotted line) Implementation
    [6] Back Slabbing/Clipping Plane
    [7] Shadow Casting from (Ribbon/Surface) Polygons

[A5] Misc.
----------
    [1] Rewrite Manual and develop tutorial introduction.
    [2] RESIZE command to set resolution even in non-iteraactive mode.
    [3] Increased support for MolScript expressions.
    [4] Interactively check distances & angles.
    [5] BSD `socket'-based Inter-process Communication (OML & Flex).


[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] Develop Monochrome XDrawLine version of RasMol.
    [6] Develop Monochrome/4-bit plane dithered variant.
    [7] 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.
    [5] Associate Icons, Types and Creators with files.

[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 (???).


Modified: Tue Nov 1 17:00:00 1994 GMT
Page accessed 6241 times since Sat Apr 17 21:38:17 1999 GMT