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#27647 06/14/11 09:27 AM
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blubbi Offline OP
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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

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rmv Offline
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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.


Rick Venable
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blubbi Offline OP
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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


Moderated by  lennart, rmv 

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