VMD-L Mailing List

From: jing liang (jingliang2015_at_gmail.com)
Date: Thu Feb 19 2015 - 07:26:17 CST

hi,

I have multiple pdb files of an enzyme called frame1.pdb, frame2.pdb, ...
and
so on.

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
representation tool.

Is there any way to accomplish this task more efficiently? Is it possible to
do that with the tcl scripting of VMD?

thanks.