[phenixbb] how to remove hydrogen from pdb
Tim Gruene
tg at shelx.uni-ac.gwdg.de
Thu Feb 6 10:52:26 PST 2014
Dear AFSHAN,
the simple and qucik command
egrep -v "^ATOM|HETATM.*H$" your.pdb > your_noH.pdb
should also work.
Best,
Tim
On 02/06/2014 06:12 PM, 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
>
>
> Best Regards
>
> AFSHAN
>
> ===========================================
> Dr. Afshan Begum
>
>
>
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--
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
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