[Chimera-users] How to deselect a subset of atoms in a non-standard residue

Elaine Meng meng at cgl.ucsf.edu
Tue May 28 08:57:28 PDT 2013


Hi Andrés,
You can use the residue name.  It might be something like NAP or NDP (hover mouse over some atom in the residue to see the balloon with the residue name).  For example, you could select all hydrogens, and then if the residue name is NDP, you could use command:

~select :ndp&H

…to deselect the hydrogens of residue NDP only. 

I hope this helps,
Elaine
----------
Elaine C. Meng, Ph.D. 
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco

On May 27, 2013, at 8:17 AM, felipe vasquez <anfelvas at gmail.com> wrote:

> Hi, 
> I am trying to select all hydrogens atoms in a protein structure to achieve an energy minimization process. However, I would like to discard of the selection the hydrogen atoms of a non-standard residue (in my case a cofactor, NADPH). 
> 
> How can I deselect only this subset of hydrogen atoms of the whole hydrogens selection?
> Best regards,
> 
> Andrés Felipe Vásquez J., MSc.
> Grupo de Fisiología Molecular
> Instituto Nacional de Salud
> Avenida calle 26 No. 51-20 - Zona 6 CAN
> Bogotá, D.C., Colombia 




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