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Posted By: blubbi get RESId from selection? - 06/14/11 09:27 AM
Hi CHARMM users,

is it possible to get the RESId from a (defined) selection?

For example:
If I want to know which residues are affected by this selection:

define SET sele prop X .lt. 10 end

How can I get this information without looping over all residues and check each resid on its own?

Cheers,
Bjoern
Posted By: rmv Re: get RESId from selection? - 06/14/11 08:06 PM
There are some ?SEL* substitutions (select,doc, subst.doc), but they only report info for the first residue in the selection. However, you can loop over selected atoms via the .SUBSET. operator (select.doc), which may be useful.
Posted By: blubbi Re: get RESId from selection? - 06/24/11 06:44 AM
Originally Posted By: rmv
There are some ?SEL* substitutions (select,doc, subst.doc), but they only report info for the first residue in the selection. However, you can loop over selected atoms via the .SUBSET. operator (select.doc), which may be useful.


Aiii, I totally forgot .SUBSET.!
This will do, since I don't really need to know each RESID in the selection personally and by ID ;-)

Thanks a lot!

Cheers,
Bjoern
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