Subject: CCL:? re WebLab 2.0 partial atomic charges

From: Andrew Tiller <[email-masked]>
Date: Fri, 16 Jan 1998 21:27:44 +0000

Dear Colleagues

Apparently there has been some confusion about the charge assignment method
used by MSI's WebLab Viewer; in fact the Gasteiger method is used, as
indicated in the program's integral help text.

QEq is one of the methods available in our Cerius2 product, but not in
WebLab Viewer.  (If a molecule is read from one of the file formats
supported by WebLab Viewer, any partial charges included in the file are,
of course, retained on the molecule.)  

Sincere apologies to Dr Shapiro, Dr Goto and the CCL community for the
confusion over this issue.

Best wishes

Andy Tiller

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* Andrew Tiller, PhD.                                       *
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