Hi Joe, Open Babel can convert pdb files to mol2 easily enough, http://openbabel.org/wiki/Main_Page. 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 --- Prof. Geoffrey
Hutchison Assistant Professor, Department of
Chemistry University of Pittsburgh Office: (412)
648-0492 |