[phenixbb] Ligandfit problems with ligand geometry
knettles at scripps.edu
Thu Sep 10 10:46:59 PDT 2009
I just tried ligandfit for the first time and it did not maintain proper geometry of the ligand. There were problems with both bond lengths and planarity. Is there a way to specify a .cif file? The ligand pdb was generated with PROGRD2, and I have had good success refining a structure that contains a very close analog with phenix.refine.
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