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[ccp4bb]: PyMOL 0.41 Windows Binaries Released
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PyMOL is a molecular graphics program which uses Python as its scripting
language. It is still under development and is not yet ready for usage
by novices. However, experienced molecular graphics users and
developers who know Python may find it valuable in its present form.
I have compiled a Win32 installable binary and placed it on the
SourceForge web site ( http://pymol.sourceforge.net ). Unix users can
compile the source from the CVS repository. This is an early release,
so please set your expectations low. The GUI is very limited, and you
will almost certainly encounter problems.
What PyMOL currently provides is real-time and scriptable molecular
graphics capabilities on very low cost hardware. In fact, I have
posted a recipe on the web site for a $1000 Athlon-based PC system which
will outperfom an SGI Octane costing over 30X as much.
PyMOL itself is free, open-source, and 100% unrestricted. You can use
PyMOL for some of the same tasks you currently perform with non-free
programs such as Midas, Insight II, Grasp, Molscript, O, and Macromodel
(no minimization yet). You can also build in-house systems or new
products around PyMOL without paying anyone a dime or having to disclose
your modifications (as under GPL). Unfortunately, documentation on how
to do some of these tasks is currently non-existent. My apologies, but
that is the nature of free/unfinished software.
The project is hosted on SourceForge. Developers, testers, and
documenters are needed. Development will progress slowly without some
NOTE: Under windows you will need:
(1) A fast accelerated 3D graphics card with OpenGL (REQUIRED).
(2) Python 1.52 installed ( http://www.python.org )
(3) A three-button mouse.
PyMOL's capabilties are numerous. Highlights include:
- Fast real-time 3D graphics with OpenGL.
- A flexible atom selection language derived from X-PLOR.
- Seven molecular representations including surfaces.
- Animation of 1000+ states (trajectories, etc).
- A built-in ray-tracer for photorealistic images and movies.
- Display of electron density from XPLOR map files.
- Molecular editing capabilities.
- 100% scriptable.
Warren L. DeLano, Ph.D.