VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed May 21 2008 - 09:17:12 CDT

On Wed, 21 May 2008, paquotau_at_loria.fr wrote:

AP> Hi,

dear aurelie,

AP> Now, I would like to know if it's possible to call VMD with a directory which
AP> contains molecules to be input ? If yes, how to do that ?

yes. this is possible, but not out-of-the box.

you have to put the commands to load a series of molecules
into a tcl script and load that instead with the -e flag.

the script could contain code like the following (untested):

foreach m [glob *.pdb] {
  mol new $m waitfor all
}

this type of question has come up before, so please see
the mailing list archives. you may probably also want to
change the default visualization etc.

cheers,
    axel.

AP> Thanks in advance,
AP>
AP> Aurélie Paquot
AP>
AP> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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If you make something idiot-proof, the universe creates a better idiot.