[phenixbb] phenix.ready_set hydrogens not compatable with coot library

amadrona at uci.edu amadrona at uci.edu
Sat Aug 21 17:28:05 PDT 2010


After reading many posts on the phenix and coot boards I realize that the
hydrogens produced by phenix.ready_set are not compatable with coot. 
Specifically, coot does not recognize HB3 and HD3 hydrogens.  When I do
realspace refinement they fly off into space.  I have edited HB3 to read
HB2 and HB2 to read HB1 and everything works well.

I was wondering if there is a fix for this besides editing the pdb each
time you run phenix.ready_set.

Is there a way to add HB3 hydrogens to the phenix library (CCP4 library)?

Thank you


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