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<H1><A NAME="SECTION000500000000000000000">
5 Synopsis</A>
</H1>
V<SMALL>IEWMOL</SMALL> can be called as follows:
<P>
<dl><dd><pre class="verbatim">
viewmol [[-bio | -dmol | -gamess | -gauss | -gulp | -mopac |
-pdb | -pqs | -tm | -tmmsi | -vamp] file]
</pre></dl>
<P>
V<SMALL>IEWMOL</SMALL> has an automatic file format detection algorithm build in and
should be able to identify output files of the programs supported without user
intervention. V<SMALL>IEWMOL</SMALL> will also run Python scripts given on the command
line when the Python script has the string <code>python</code> within the first 1024
characters (this is usually the case if the script starts with the common
<code>#!/usr/local/bin/python</code> or similar first line). If V<SMALL>IEWMOL</SMALL> is
called without parameters it will bring up a file selection box to select
the file to be viewed.
<P>
If the option <code>-bio</code> is used the file name of a D<SMALL>ISCOVER</SMALL> file has to
be specified. One can use the <code>.car</code>, the <code>.cor</code>, or the <code>.arc</code>
file of D<SMALL>ISCOVER</SMALL>. V<SMALL>IEWMOL</SMALL> also looks for a file with the extension
<code>.hessian</code> and tries to read the vibrational spectrum from it, if it was
found.
<P>
If the option <code>-dmol</code> is used the file name of a DM<SMALL>OL/</SMALL>DS<SMALL>OLID/</SMALL>DM<SMALL>OL</SMALL><SUP>3</SUP>
output file has to be specified.
<P>
If the option <code>-gamess</code> is used the file name of a G<SMALL>AMESS</SMALL> output
file has to be specified.
<P>
If the option <code>-gauss</code> is used the file name of a G<SMALL>AUSSIAN 9X</SMALL> output
file has to be specified.
<P>
If the option <code>-gulp</code> is used the file name of a GULP output file has to be
specified.
<P>
If the option <code>-mopac</code> is used the file name of a M<SMALL>OPAC</SMALL> output file has to
be specified. V<SMALL>IEWMOL</SMALL> also looks for a file with the extension <code>.gpt</code>
and reads information about basis sets and MOs from it, if it was found.
<P>
If the option <code>-pdb</code> is used the file name of a PDB file has to be specified.
<P>
If the option <code>-pqs</code> is used the file name of a PQS output file has to be specified.
<P>
If the options <code>-tm</code> or <code>-tmmsi</code> are used the file name of a
T<SMALL>URBOMOLE</SMALL> file containing at least the data group <code>$coord</code>
has to be specified. <code>-tm</code> reads the original T<SMALL>URBOMOLE</SMALL> output
while <code>-tmmsi</code> allows V<SMALL>IEWMOL</SMALL> to read T<SMALL>URBOMOLE</SMALL> outputs
from the T<SMALL>URBOMOLE</SMALL> version distributed by Accelrys (the only difference
is the ordering of the normal modes in the <code>control</code> file).
<P>
If the option <code>-vamp</code> is used the file name of a Vamp output file has to be specified.
V<SMALL>IEWMOL</SMALL> also looks for a file with the extension <code>.gpt</code> and reads
information about basis sets and MOs from it, if it was found.
<P>
<p><hr>
<ADDRESS>
<a href="mailto:joehill@users.sourceforge.net"><i>Jörg-Rüdiger Hill</i></a> Fri Oct 31 14:19:21 CET 2003
</ADDRESS>
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