VMD-L Mailing List
From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Mon Aug 11 2014 - 00:29:19 CDT
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- In reply to: Maurício Menegatti Rigo: "Tcl scripting - Coloring residues by frame along trajectory"
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You can use the user (or user2, user3) fields in the atomic structure in VMD to save per frame/per atom data. Afterwards choose coloring method "user" (or user2, user3) within representations.
Example:
set [sel atomselect top "resid 1 to 10"]
$sel frame $myframe
$sel set user $myvalue
$sel delete
Of course you need to loop over your file. Google for "TCL line wise file read". You will also be interested in "VMD Main->Extensions->Visualization->Color Scale Bar"
Norman Geist.
> -----Ursprüngliche Nachricht-----
> Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im
> Auftrag von Maurício Menegatti Rigo
> Gesendet: Freitag, 8. August 2014 20:13
> An: vmd-l_at_ks.uiuc.edu
> Betreff: vmd-l: Tcl scripting - Coloring residues by frame along
> trajectory
>
> Hi,
>
> I'm trying to make a script in Tcl to perform the following task over
> my
> "File.txt":
>
> ********************************************
> File.txt
>
> 0 379 ARG - 476 TYR - 1.852063
> 0 380 ALA - 476 TYR - 3.242678
> 0 380 TYR - 621 TYR - 3.263404
> 0 380 TYR - 476 TYR - 2.483822
> 0 379 PHE - 412 TYR - 2.844423
> 1 378 ARG - 476 TYR - 1.947969
> 1 378 PHE - 412 TYR - 2.629322
> 1 377 ARG - 414 TYR - 1.777359
> 1 377 ARG - 667 GLY - 2.279196
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