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From: Vlad Cojocaru (Vlad.Cojocaru_at_mpi-bpc.mpg.de)
Date: Wed Aug 17 2005 - 11:31:15 CDT
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Dear vmd users,
I am trying to perform an overlay of more than 2 molecules using the
script below. It happens that the second molecule is not moved on top of
mol. 0 (molecule 1 is moved properly). I guess is something about the
order of selecting the molecules. Could somebody correct my script so
that the molecule 2 will also be moved on top of molecule 0?
Also I would like to continue this overlaying until up to 6
moilecules. Is there any trick that I shall take care of?
Thank you very much.
Best wishes
vlad
logfile vmd.log
mol load pdb RRM-model_o.pdb
mol load pdb 1aud.pdb
mol load pdb 1dz5.pdb
set sel0 [atomselect 0 {{name C CA N O} and {resid 6 to 8 32 to 35 46 to
50 76 to 78}}]
set sel1 [atomselect 1 {{name C CA N O} and {resid 10 to 12 40 to 43 54
to 58 83 to 85}}]
set sel2 [atomselect 2 {{name C CA N O} and {resid 10 to 12 40 to 43 53
to 57 83 to 85}}]
set tm1 [measure fit $sel1 $sel0]
set tm2 [measure fit $sel2 $sel0]
set move_sel1 [atomselect 1 all]
set move_sel2 {atomselect 2 all]
$move_sel1 move $tm1
$move_sel2 move $tm2
measure rmsd $sel1 $sel0
measure rmsd $sel2 $sel0
-- Vlad Cojocaru Max Planck Institute for Biophysical Chemistry Department of Molecular Biology Am Fassberg 11, 37077 Goettingen, Germany tel: ++49-551-201.1327 e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de
- Next message: Jindal Shah: "Script for calculating energy of a water molecule"
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- Next in thread: Blake Charlebois: "RE: overlaying more than 2 molecules"
- Reply: Blake Charlebois: "RE: overlaying more than 2 molecules"
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