VMD-L Mailing List
From: jonathan (jkhao_at_ifr88.cnrs-mrs.fr)
Date: Mon Oct 11 2010 - 11:59:08 CDT
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Hi,
I'm looking for some help to add a keyword in the VMD atom parser, which
selects "layers" of molecules around a reference group. While the
combination of two -within- selections works fine, it gets quite heavy
on large trajectories ( ex : (within 12 of protein) and (not within 6 of
protein)).
Looking at the find_within_routine in the SpatialSearch.C, it seems that
adding another parameter to the condition would do the trick.
l.1113 if (dx2 + dy2 + dz2 < r2)
But I'm not comfortable enough with the atom parser to do it.
Got Hints ?
Thanks !
Jonathan
- Next message: TRINH Minh Hieu: "Re: How to stop a script (eg : source myscript.tcl) ?"
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- Reply: John Stone: "Re: Combined "Within" atom selection"
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