CCL: Free Tool for conformer generation



 Sent to CCL by: "Brunsteiner, Michael" [micb#,#uic.edu]
 On Mon, March 5, 2007 10:31, Raphael A. Bauer raphael.bauer{:}charite.de
 wrote:
 >
 > Sent to CCL by: "Raphael A. Bauer" [raphael.bauer,charite.de]
 > Hi CC List,
 >
 > I am wondering if anybody of you knows a tool for the generation of
 > conformers. Pretty much what Catalyst does. But - for my project I would
 > need something "free" (open source) and scriptable (command line
 version
 > maybe).
 >
 > Any recommendations for good tools?
 omega2 from openeye (www.eyesopen.com)
 its fast, quite versatile, and can (only) be used
 > from the command-line.
 for academia/non-profit its free.
 mic
 > Many thanks in advance!
 >
 > Raphael>
 >
 >