[phenixbb] Question about Adding Hydrogens

Pavel Afonine pafonine at lbl.gov
Mon Feb 28 10:15:38 PST 2011

  Hi Luis,

I guess this can be easily done if you create a PDB file containing that 
one residue and then run

phenix.ready_set model_res10.pdb

I know it might look not ideal/elegant, but on the other hand the whole 
task of adding H atoms to just one residue seems unusual to me, and it 
probably wouldn't warrant efforts on changing phenix.ready_set to add 
this functionality. I might be wrong of course...


On 2/28/11 8:45 AM, Louis Lazar wrote:
> All,
> I was curious if there is a way to add hydrogens to an individual 
> residue. For example, rather than running the command: 
> phenix.ready_set model.pdb, run something like:
> phenix.ready_set model.pdb resid=X or
> phenix.ready_set=resid 10 model.pdb
> Any thoughts/recommendations on the subject are greatly appreciated. 
> Thanks in advance.
> Louis

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