VMD-L Mailing List
From: Mert Gür (gurmert_at_gmail.com)
Date: Mon Jun 14 2010 - 14:26:14 CDT
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Dear all,
I want to change only the carbon alpha coordinates of my vilin pdb
file. The reason of doing that is to use the CA coordinates from a
different pdb file as Targeted Molecular Dynamic target coordinates.
I have two pdb files vilin.pdb which has all the initial coordinates
and CA.pdb which only has the target CA coordinates. The residue index
for the CA atoms is the same in both pdb file. However, atom indexes
are different.
Can anyone help me to change the CA coordinates in vilin.pdb to the
ones in CA.pdb?
Best,
Mert
mol load pdb vilin.pdb
mol load pdb CA.pdb
set s1 [atomselect 0 "name CA"]
set s2 [atomselect 1 "name CA"]
set s3 [atomselect 0 "protein"]
I cant figure out the next step.
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- Reply: genie lfs: "Re: Change only the CA coordinates in a pdb file via tcl"
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