Bob,
OK, thanks.
That fixed the problem. I've generalized our use of minimize FIX so it
works with any central atom in place, thus locking the geometry of this
atom and attached atoms during subsequent editing. Using this system, Tom
can draw carboplatin in Jmol in seconds without loss of Pt geometry during
the editing, providing he starts with a custom square planar template. He's
working on isomer/stereochemistry exercises, and the compare function seems
to be working well. I had put this coordination stuff on a back burner, so
I'm glad he got me started again.
Otis
--
Otis Rothenberger
Department of Chemistry
Illinois State University
Normal, IL 61790-4160
http://chemagic.org
----------------------------------------
From: "Robert Hanson" <[email protected]>
Sent: Monday, January 03, 2011 11:31 AM
To: [email protected], [email protected]
Subject: Re: Partial Wrap Up of the Coordination Issue
It was a bug with the H atom addition. See fixed:
http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip
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