Just a comment: I used to build modified surfaces with no specific
atom-numbering order (i.e., if I had to build a carboxy group, on Structure 1 I
followed the order COOH, and on Structure 2 COHO), then similar structures
didn't match the atom numbering which I required to.
In my experience I only use .xyz files and try to stick to the original
labelled-ordered surface, and Avogadro always respect the original numbering
for this files (running on both Vista and Ubuntu).
Salut and success
From: karl.irik...@nist.gov
To: avogadro-discuss@lists.sourceforge.net
Date: Thu, 9 Apr 2015 13:23:49 +0000
Subject: [Avogadro-Discuss] Turn off atom renumbering?
When I turn on atom labeling/numbering, Avogadro appears to renumber so that
each element starts with #1. I.e., there are atoms C1, N1, etc. I would
like the atom numbering preserved as in the input file, for compatibility with
other
programs. I.e., so there is only one atom #1. Is there a way to do this?
Thanks,
Karl
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Dr. Karl K. Irikura
National Institute of Standards and Technology
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email:
karl.irik...@nist.gov
http://www.nist.gov/mml/csd/informatics_research/index.cfm
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