Dmitry,
You need to iterate through the histidines to do this. This can be done in
PyMOL as follows:
# select C-alpha atoms in all HIS residues as our query set
select c_alphas, his/ca
# create a selection to hold the resulting atom set
select result, none
# iterate through each query atom (each expanded to a residue)
# selecting all nearby HIS residues as we go into the result
while cmd.pop("tmp", "c_alphas"): \
cmd.select("result", "result or byres (his/ near_to 6 of byres tmp)")
# then display the resulting selection
enable result
Cheers,
Warren
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DeLano Scientific LLC
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> -----Original Message-----
> From: pymol-users-boun...@lists.sourceforge.net
> [mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf
> Of DimitryASuplatov
> Sent: Saturday, February 23, 2008 8:01 AM
> To: pymol-users@lists.sourceforge.net
> Subject: [PyMOL] Selecting single type amino acids within X
> angstrom fromeach other
>
> Hello,
> I what to select all histidines that lie within 6 angstroms
> from each other. If I use
> > select x, resname his within 6 of resname his
> it selects all possible his, obviously. I tried to create a
> new state and select his of different states but got the same
> result for the same reason.
> Do you have any suggestions? Thanks a lot!
> SDA
>
>
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