[2133] in Software_Announce
XDrawChem, babel installed on Athena
daemon@ATHENA.MIT.EDU (Alex T Prengel)
Wed Sep 20 15:19:16 2006
To: software-announce@MIT.EDU
cc: alexp@MIT.EDU, cfyi@MIT.EDU, facdev@MIT.EDU, ccummins@MIT.EDU
Date: Wed, 20 Sep 2006 15:18:58 -0400
From: Alex T Prengel <alexp@MIT.EDU>
I've installed XDrawChem (Linux) and an updated version of babel (Sun, Linux)
on Athena. XDrawChem is a 2d chemical structure drawing program similar in
capabilities to ChemDraw; babel is a conversion program for converting
molecular structure description files between different formats. There is
online help for XDrawChem, and a man page (man babel) that describes the
capabilities of babel. To run them:
add xdrawchem
xdrawchem
or
add xdrawchem
babel -i <input format> <infile> -o <output format> <outfile>
i.e. as a specific case:
babel -i pdb 1crn.pdb -o xyz 1crn.xyz
XDrawChem isn't installed for Suns because I couldn't compile a working binary
from the source code.
Alex
