[phenixbb] neutron refinement of protonated Glu and residues with alternate conformation

Pavel Afonine pafonine at lbl.gov
Tue May 5 15:40:44 PDT 2015

Hi Qun,

> 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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