[Chimera-users] Reverse of AddH

Elaine Meng meng at cgl.ucsf.edu
Fri Feb 27 11:42:18 PST 2009


Hi Francesco,
command:  delete element.H

(or menu:  Select... Chemistry... element... H, Actions... Atoms/ 
Bonds... delete )

Elaine
-----
Elaine C. Meng, Ph.D.                          meng at cgl.ucsf.edu
UCSF Computer Graphics Lab and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
                      http://www.cgl.ucsf.edu/home/meng/index.html



On Feb 27, 2009, at 10:12 AM, Francesco Pietra wrote:

> Hi:
>
> Is it possible to remove all hydrogens by command, without intervening
> manually on the pdb file?
>
> I have to rmsd the starting (no H) pdb with the final structure after
> MD (with H). AddH command to the starting structure would place H not
> optimized, while MD has also changed the C-backbone conformation.
>
> Thanks
>
> francesco pietra
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