[Dock-fans] amber score in dock 6.1

Yubo Fan yubofan at mail.chem.tamu.edu
Thu Nov 29 11:38:17 PST 2007


I have a question about setting the flexible region for docking with UCSF Dock 6.1.

If I need to set the ligand and certain amino acid residues as movable region, how can I define them. For example, how can I set the ligand and residue 20-30 movable for docking in the keyword shown below?
amber_score_movable_region [ligand] (distance, everything, ligand, nab_atom_expression, nothing):

Thanks a lot,

Yubo Fan  Ph.D             Email: yubofan at mail.chem.tamu.edu
Department of Chemistry    Tel:   1-979-845-5237
Texas A&M University
College Station, TX 77843
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