[phenixbb] how to remove hydrogen from pdb
pafonine at lbl.gov
Thu Feb 6 11:47:06 PST 2014
it not a good idea to do this for reasons explained in great details here:
see "On contribution of hydrogen atoms to X-ray scattering".
Yes, the easiest is
phenix.reduce -trim model_with_h.pdb > model_no_h.pdb
If you do this make sure you update refinement statistics (including
All the best,
On 2/6/14, 9:12 AM, Afshan Begum wrote:
> Dear Experts,
> Could you kindly tell me how can i remove hydrogen from my coordinate.
> Actually i refine my structure with phenix along all hydrogen now its
> almost done but before submitting the molecule into PDB data bank i
> want to remove hydrogen from the coordinate which i do not know how to
> do, suggestion would be appreciated
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