I like Angel's solution. It makes it very clear that the data is
being changed. However, the calculate aromatic and calculate Hbonds
commands don't change the geometry, so are not quite as dangerous as
minimize. I've never looked into the calculate secondary structure
command so have no comments on that.
Jonathan
On Nov 10, 2008, at 11:08 AM, Robert Hanson wrote:
>
> * Edit
> ** Calculate Hbonds
> ** Calculate secondary structure
> ** Calculate aromatic
> ** Minimize
>
> ...just thinking aloud.
>
>
Dr. Jonathan H. Gutow
Chemistry Department [EMAIL PROTECTED]
UW-Oshkosh Office:920-424-1326
800 Algoma Boulevard FAX:920-424-2042
Oshkosh, WI 54901
http://www.uwosh.edu/faculty_staff/gutow/
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