Subject: Re: CCL:G:Gaussian 94 Visualization

From: [email-masked] (Joel Polowin)
Date: Tue, 26 Nov 96 09:39:21 -0500

> From: "Anatoli Korkin" <[email-masked]>
> Date: Mon, 25 Nov 1996 23:30:53 -0500
> 
> It is easy problem. You do not need a special program, because "newzmat"
> (read gaussian manual) can convert your z-matrix into pdb format. Hyperchem
> can read it. You only need to change the extention "pdb" into "ent". 
> For some reasons pdb format files in Hyperchem have the extention "ent".

They have that extension because that is the extension used in the
Brookhaven Protein Data Bank itself.  Your solution will probably work
properly, but one must be careful if the structure includes standard PDB
residues -- if atoms are missing from standard residues when a PDB file
is read, HyperChem will attempt to add the missing atoms, using information
from its residue templates.

Joel
 
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