[phenixbb] heavy atom sites in autobuild
Bryan W. Lepore
bryanlepore at mail.utexas.edu
Fri Dec 28 15:14:48 PST 2007
i'm confused about treatment of heavy atom sites in autobuild. couple
1. since heavy atom sites can be treated as single atoms, should
phenix.autobuild simply refine the positions within a protein model? i.e.
heavy atom sites should not need to be treated as ligands, with a .cif --
2. if i want autobuild to build around the heavy atom site, can i just
use input_pdb_file=heavy.pdb? input_lig_file_list= is not working.
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