CCL: Mol2 file example?



Hi Joe, Open Babel can convert pdb files to mol2 easily enough, http://openbabel.org/wiki/Main_Page.
Ben.

Well Joe knows that pretty well -- I can vouch that he's a long time Open Babel user. I think he wants an "authentic" mol2 file. Open Babel does try to stick to published file format specifications, but there's a difference between a specification and having some example files. For example, consider the difference between the HTML specifications and a bunch of web pages.

I'd also be happy to have some example mol2 files straight from Sybyl.

Cheers,
-Geoff

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Prof. Geoffrey Hutchison
Assistant Professor, Department of Chemistry
University of Pittsburgh
Office: (412) 648-0492