[phenixbb] Small issue with residue PTR
terry at lego.berkeley.edu
Mon Nov 14 15:01:07 PST 2011
I have found a small issue with atom naming for residue PTR.
When phenix.ready_set adds hydrogens to the residue, it names the
hydrogens connected to the CB atom to be HB3 and HB2. However, the
hydrogens in the cif file located in chem_data/mon_lib are labeled HB1
and HB2. Manually changing either the cif file or the atom name in the
pdb file solves the problem.
P. Therese Lang
Alber Lab, UC Berkeley
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