[phenixbb] Small issue with residue PTR

Terry Lang terry at lego.berkeley.edu
Mon Nov 14 15:01:07 PST 2011

Hey Everyone,

         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
Post Doc
Alber Lab, UC Berkeley

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