From m10!frisch@uunet.UU.NET  Tue Dec 22 12:41:59 1992
Message-Id: <9212222325.AA16232@relay2.UU.NET>
Date: Tue, 22 Dec 92 17:41:59 EST
From: m10!frisch@uunet.UU.NET (Michael Frisch)
Subject: Re: cartesian to pdb format
To: chemistry@ccl.net


    I have a small problem and was wondering if anyone out here can help me.
    I have been examining a series of compounds with gaussian92. I thus have
    these compounds expressed as their cartesian coordinates. I would like to
    use Sybyl to visualize these structures. Does anyone know if a program exists
    to convert these cartesian coordinate files into Sybyl-readable pdb files?
    I was hoping to obtain this program through anonymous ftp rather than my
    research director's research grant. Thanks!
    -mark zottola
    zottola@chemvax.chem.duke.edu
    
The NewZMat program distributed with Gaussian 92 can write PDB files which
can be read by most graphics programs, although I haven't tested Sybyl in
particular.  In recent revisions of G92, you can use either the
-opdb or -obkv switch to NewZMat (they are synonymous).  In earlier versions,
and in G90, you had to say -obkv (the clearer synonym wasn't available).

Mike Frisch
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