VMD-L Mailing List
From: Dr. Luis Rosales Leon (lrl_at_labvis.unam.mx)
Date: Wed Nov 07 2007 - 18:50:50 CST
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- In reply to: Alessio Alexiadis: "combine together two PBD/PSF files"
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Hi Alessio!!
To combine multiple psf/pdf files you can use a script like this:
------------
package require psfgen
resetpsf
readpsf complex.psf
readpsf membrane.psf
readpsf solvate.psf
coordpdb complex.pdb
coordpdb membrane.pdb
coordpdb solvate.pdb
writepsf all.psf
writepdb all.pdb
puts "HE TERMINADO!!!!"
quit
--------------
To do this you write a text file with the needed comands and makes vmd
to execute them with the -e flag (and usually with the -dispdev flag
too, to avoid the graphic windows of vmd while it runs the script):
%vmd -dispdev text -e myneatscript.tcl
You can read as many psf/pdb files as you need and merge them in one
pair of psf/pdb.
The puts part isnot really needed, but it can tell you that the script
finished correctly and is fun :)
Hope this helps,
Luis
Alessio Alexiadis wrote:
> Hi everybody,
>
> I have two groups of pdb+psf files coming from two procedures written by
> myself. Do you know how can I merge them to two single pdb/psf files? I
> could modified the routines that write the initial files but, if there
> is a simple way in VMD, it would be better.
>
> Thanks for your help
> Alessio
>
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-- --------------------------------------------------- Dr. Luis Rosales León Departamento de Visualización Científica Dirección General de Servicios de Cómputo Académico Universidad Nacional Autónoma de México AP 70228, Cd. Universitaria, México, D.F. 04510 Tel: 56228582 Fax: 56228043 ---------------------------------------------------
- Next message: John Stone: "Re: question about ionization"
- Previous message: John Stone: "Out of office until Nov. 16"
- In reply to: Alessio Alexiadis: "combine together two PBD/PSF files"
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