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... Pavel. 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