Subject: HyperChem

From: "Jan H. Jensen" <[email-masked]>
Date: Thu, 16 Nov 2000 17:28:49 -0500

Hi,
	I am contemplating buying a copy of HyperChem, but I have a few
questions about its capabilities.

1) Is it possible to automatically add hydrogens to a crystallographically
determined geometry of a protein?

2) Is it possible to optimize (with AMBER) the positions of these hydrogens
while keeping the heavy atoms fixed at their crystallographically
determined positions?

3) HyperChem is supposed to have a sophisticated scripting language that
allows for interfaces to other programs.  Has anyone interfaced HyperChem
to GAMESS US?

Thanks, Jan Jensen

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Jan H. Jensen				Assistant Professor
Department of Chemistry			[email-masked]
University of Iowa			Phone:(319) 335-1108
Iowa City, IA 52242			FAX:  (319) 335-1270
http://www.uiowa.edu/~chemdept/faculty/jensen/
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