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From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Thu Nov 24 2016 - 01:39:44 CST
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- In reply to: Wong Li Zhe: "Superimpose Models"
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Hey, if you can break down the superimposable part of both proteins using
the same selection e.g. "backbone and name CA" you can easily use the RMSD
Trajectory Tool (Extensions->Analysis). If you need different selections for
both proteins, you can still do it at the commandline with TCL (untested):
set sel1 [atomselect 0 "resid 1 to 10 and name CA"]
set sel2 [atomselect 1 "resid 4 to 13 and name CA"]
set mat [measure fit $sel1 $sel2]
$sel2 move $mat;
If you need this for a number of frames I can give you an example of a loop
across all frames.
Norman Geist
Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im Auftrag von
Wong Li Zhe
Gesendet: Donnerstag, 24. November 2016 06:38
An: vmd-l_at_ks.uiuc.edu
Betreff: vmd-l: Superimpose Models
Wichtigkeit: Hoch
Dear VMD users,
I would like to combine superimpose 2 protein models with different atoms
numbers.
I wonder is there a way in which how I can alter the PDB file to achieve the
same atom numbers?
I have tried several approaches using Tk console and etc but it wont.
Any insight on this issue?
Thank you.
Best regards,
Li Zhe
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