VMD-L Mailing List
From: James Kress (jimkress_58_at_kressworks.org)
Date: Thu Feb 19 2015 - 12:23:51 CST
Can’t you combine the pdb files into one pdb file? Then you can use the Graphics Representation menu to define the display for all frames at once.
James Kress Ph.D., President
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From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of jing liang
Sent: Thursday, February 19, 2015 8:26 AM
Subject: vmd-l: script for displaying multiple frames
I have multiple pdb files of an enzyme called frame1.pdb, frame2.pdb, .. and
I want to display the whole structure of the enzyme with "lines" but some
amino acids and ions with "cpk" ("segid ami" and "segid ion") .
Dealing with a single frame is not a problem because I can use the graphics
representation tool to select the drawing method "lines" for the enzyme
and then use the "cpk" after creating a new representation.
My problem is when I have to do the same for 30 frames. What I am doing is
to open the frames with
vmd -f frame1.pdb -f frame2.pdb -f frame3.pdb ... -f frame30.pdb
and then I need to do the steps I already mentioned with the graphics
Is there any way to accomplish this task more efficiently? Is it possible to
do that with the tcl scripting of VMD?