Xavier,
there is the Klotho collection for small biomolecules http://www.biocheminfo.org/klotho/html/alpha-D-galactopyranose.html
Thanks so much! These PDB files are non-standard, but I'll clean them up with Open Babel.
My goal is to optimize the geometries with MOPAC and deposit the CML files with the Chem Structures database:
http://chem-file.sourceforge.net/I also intend to use these as fragments for Avogadro. My reading is that these are intended for the public domain, correct?
Thanks again, -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: [email protected] web: http://hutchison.chem.pitt.edu/
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