[Chimera-users] How to deselect a subset of atoms in a non-standard residue
anfelvas at gmail.com
Tue May 28 14:12:43 PDT 2013
Thank you for your help. Your answers have been very useful.
*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
2013/5/28 Elaine Meng <meng at cgl.ucsf.edu>
> 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 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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