Subject: Systematic Conformational Analysis

From: <[email-masked]>
Date: Wed, 11 Jan 1995 11:13:52 +0100 (MEZ)

Dear Netters,
for the analysis of fused ring systems with comp. chem. programs
like MOPAC we are using a program called SCA (Systematic Conformational
Analysis) which is a DOS program by DeClercq, Hollack and Cauwberghs
and distributed by QCPE (QCMP 079).
It is easy to use and produces reasonable starting geometries of a 
drawn input molecule to be used in the further analysis.
Although quite useful, it has its limitations as it can handle only
5-7 membered ring systems and has a tendency to produce 'runtime errors'
which is of course quite frustrating.
Therefore I would like to ask:

1. Is anyone aware of an improved version, for example for larger ring
   systems or less runtime errors (or hints why they occur on our PC)? or
2. is anyone aware of (easy to use) tools for the same purpose?

Please mail to me directly, in case of interest I will post a
summary to the group.

Thanks in advance!

Thorsten Loehl
   
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|Thorsten Loehl                            Tel.:+49-251/83-3233      |
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