[phenixbb] neutron refinement of protonated Glu and residues with alternate conformation
pafonine at lbl.gov
Tue May 5 15:40:44 PDT 2015
> I found a few residues with two alternate conformations. After I
> generated alternation conformations, I used phenix.readyset to
> generate hydrogen and deuterium atoms for D/H atoms. However,
> phenix.readyset only gives H atoms for exchangable H atoms, such as
> the amide H atoms. The reason is that A and B letters have been
> assigned for the alternate conformation, not for the D/H atoms for
> particular conformations.
> Could anyone know how to solve this problem?
this is imitation of phenix.refine due to the fact that PDB file format
does not allow longer than one-letter altloc id.
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