Re: [Jmol-users] xyz vs pdb

[Philip Bays]

As long as we are talking Spartan:   I would live to see surface 
display capabilities from spartan:)

Phil Bays

On Feb 26, 2004, at 10:04 AM, timothy driscoll wrote:

at 3.36p EDT on 2004 February 26 Thursday Miguel Howard said:

Hens & Tim wrote:
How to create such PDB models (from computational packages) is
another question; I'm willing to edit the files by hand if need
arises.
That may be our only option :-)

a simple perl uitility could drop different sets of atom records into
whatever format - including a sinlge multi-model file appended by a
single header.  I am willing to tackle such a project if need be.
Tim,

I think that some perl utilities to facilitate this process might be
generally useful.
me, too.


One of my friends (Jose Luis Lopez) from here at the University of
Salamanca is currently building animations using Spartan. They are 
taking
Spartan output and generating multiple .pdb files. They are then 
taking
the .pdb files and converting them to a multi-frame .xyz file ... to 
play
in Chime.

I have asked him to send me as 'set' of files ... starting with the
Spartan output.
very nice.  I'd be interested in seeing examples.

a perl newbie,

:tim

--
timothy driscoll
molvisions - molecular graphics & visualization
<http://www.molvisions.com/>
usa:north carolina:wake forest
(seems I'm a newbie in a lot of things.  where am I an oldbie? ;-)



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J. Philip Bays
Department of Chemistry and Physics
Saint Mary's College
Notre Dame   IN  46556
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