Hello Bob,
I'm sure we all love a serious challenge, looking forward to it ;-).
By some weird synchronicity, I came across your name today while searching Jmol
mailing list archives from 2006 on the topic of handling 'alt location'.
I have a problem aligning structures in JMol (based on sequence alignment, and
alpha carbons), whenever the CA atoms appear in alternate locations.
Essentially I need a variant of the selection pattern e.g.
{1-40.*CA}
which would exclude any alternate locations (so I don't match too many atoms).
My best effort so far is something like
{1.*CA[-1]|2.*CA[-1]|3.*CA[-1]....40.*CA[-1]}
which seems to work but is unwieldy.
Does anything spring to mind how to address this? Or should I do the right
thing and address the JMol mailing list?
Thanks and regards,
Mungo
Mungo Carstairs
Jalview Computational Scientist
The Barton Group
Division of Computational Biology
College of Life Sciences
University of Dundee, Dundee, Scotland, UK.
www.jalview.org<http://www.jalview.org/>
www.compbio.dundee.ac.uk<http://www.compbio.dundee.ac.uk/>
________________________________
From: [email protected] <[email protected]> on
behalf of Robert Hanson <[email protected]>
Sent: 02 June 2015 04:25
To: Jalview Development List
Subject: [Jalview-dev] Hello from Jmol
Thanks for adding me to this list. I am very excited to see if we can use
Java2Script along with the Swing business I am working on now to do this. I am
optimistic, though I realize it is a serious challenge.
Bob Hanson
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
The University of Dundee is a registered Scottish Charity, No: SC015096
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