[323] in Software_Announce
molscript molecular image file generator installed on Athena
daemon@ATHENA.MIT.EDU (Alex T Prengel)
Mon Nov 8 15:59:38 1999
To: software-announce@MIT.EDU, fredh@MIT.EDU
Cc: alexp@MIT.EDU, cfyi@MIT.EDU, facdev@MIT.EDU, stern@MIT.EDU, tidor@MIT.EDU,
rutledge@MIT.EDU, ccummins@MIT.EDU
Date: Mon, 08 Nov 1999 15:56:25 -0500
From: Alex T Prengel <alexp@MIT.EDU>
I have installed Molscript version 2.1.2 for Athena SGIs. Molscript is
an application for creating schematic or detailed molecular graphics
images from molecular 3D coordinates, usually, but not exclusively,
protein structures. A helper application called molauto, which produces
good first-approximation Molscript input files from molecular coordinate
files has also been installed.
To use these applications, first type "add molscript" at the Athena prompt.
There is html online documentation starting from
http://web.mit.edu/molscript_v2.1.2/www/index.html. There are many possible
command-line options explained in the documentation; as one example, a way
to directly view a 3d image of a .pdb molecular coordinate file (say ras.pdb
as supplied in the examples directory) is:
molauto ras.pdb | molscript -gl
If you copy the directory /mit/molscript_v2.1.2/examples to a location
where you have write permission and type "make" (after typing "add
molscript"), you will see most of the possible molscript output
formats. VRML output (in .wrl format) can be viewed with the SGI cosmoworlds
application:
cosmoworlds ras_rmsd.wrl
Alex
