Hi Louis,
Hydrogen atoms in Phenix are added using the Reduce program, and one
of the real strengths of Reduce is that it determines H-atom positions
by optimizing the local H-bond network. By only adding hydrogens to
one residue, this step would be lost.
Is there a reason that you'd like to add H atoms to just one residue?
You can find out more about Reduce here:
http://kinemage.biochem.duke.edu/software/reduce.php
Thanks,
Jeff
On Mon, Feb 28, 2011 at 8:45 AM, Louis Lazar
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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