From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Tue Jun 02 2009 - 09:22:43 CDT

On Mon, 2009-06-01 at 21:47 +0300, Thomas Evangelidis wrote:
> Dear VMD users,

dear tom,

> is there a neat way to add atoms to empty molecules generated with mol
> new atoms [natoms] command?

just have a look at the scripts in the topotools plugins.

you can now write molecule reader plugins entirely from script.
all you need to do is to:

set mol [mol new atom ####]

animate dup $mol

then "fill" the atoms with properties (name, type, mass,
charge, resid, rename, ...)

and finally do a:

mol reanalyze $mol

and you should be at the same point as when you read in
the molecule via mol new.

cheers,
   axel.

> thanks,
> Tom

-- 
=======================================================================
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.