CCL: Summary re: conformational analysis tools



Folks, as you recall, I was interested in open-source conformational analysis codes as prototypes for pre- and post-processing in a GUI.  There were a number of good suggestions, and I thought I'd summarize:

The open-source alternatives were Tinker and Open Babel tools.  The former is a nice package, but probably more complex that I'm interested in.  The latter seems to have generator and minimizer routines that bear looking into.

Several commercial packages were suggested: Vconf from Verachem, Omega from OpenEye and Marvin from ChemAxon.  There are other commercial alternatives out there, but they're not what I need.

I'm not sure where smi23d comes in, but I recall several postings about it over the last few months and will check up on it at some point.  As always, any advice > from the CCL readers is welcome!

Joe Leonard
jleonard42_._gmail.com

P.S. I want to wish everybody the best for this holiday season, and may '08 be a good year for you!

--
"That's a paradox.  Could blow a hole in the space-time continuum the size of...  Well, actually the exact size of Belgium.  That's a bit undramatic, isn't it...  Belgium?"