[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.

Terry

-- 
P. Therese Lang
Post Doc
Alber Lab, UC Berkeley



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