From badertscher@org.chem.ethz.ch  Sun May 18 08:43:08 1997
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Date: Sun, 18 May 1997 12:46:06 +0100
To: chemistry@www.ccl.net
From: Martin Badertscher <badertscher@org.chem.ethz.ch>
Subject: G92 cannot handle T-symmetry


Cory Pye wrote:
> I am trying to run a large molecule of symmetry T. I keep getting the error
>
>  Error permuting atoms in Fill, LPerm:
>    1   0   0   0   0   0   0   0   0   0
>    0   0   0   0   0   0   0   0   0   0
>    0   0   0   0   0   0   0   0   0   0
>    0   0   0   0   0   0   0   0   0   0
>    0   0   0   0   0   0   0   0   0   0
>    0   0   0   0   0
>  Symmetry turned off:
>  Error termination in Lnk1e.

G92 is not able to handle this high symmetry. G94 is, so you best upgrade
your software if you are working with high symmetry point groups.

I have a workaround handy for the point groups Th and Td. The highest
symmetry still recognized by G92 is S6 and D3 respectively. Yet coding is
complicated.

Martin Badertscher



From netsci@awod.com  Sun May 18 10:43:10 1997
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Date: Sun, 18 May 1997 10:38:43 +0100
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From: netsci@awod.com (Network Science)
Subject: May Issue of NetSci
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The May issue of NetSci is on-line at:

http://www.netsci.org

Articles include "Recent Applications of Accelerated Structure Analysis
Protocols" by Edward H. Kerns, et al (Bristol-Myers Squibb) and a new
course, "HTML for Beginners".