This tool looks cool also (especially to all the maximum likelihood fans
of this list I guess):
http://www.theseus3d.org/
---
Theseus is a program that simultaneously superimposes multiple
macromolecular structures. Instead of using the conventional
least-squares criteria, Theseus finds the optimal solution to the
superposition problem using the method of maximum likelihood.
---
Tim Gruene wrote:
Yes, I forgot about escet. The more up to date wab address is
http://webapps.embl-hamburg.de/escet/
even though that page still lists Thomas' address in Italy
Tim
On Thu, Apr 14, 2011 at 10:05:47AM +0200, Gergely Katona wrote:
ESCET is also very useful to reveal small, but significant
differences. It also identifies conformationally invariant regions for
superposition.
http://schneider.group.ifom-ieo-campus.it/escet/index.html
Gergely
On Thu, Apr 14, 2011 at 9:34 AM, Tim Gruene <t...@shelx.uni-ac.gwdg.de> wrote:
Hello Rex,
most programs probably use similar algorithms for superpositions, so you can
pick your choice:
- O
- lsqman
- lsqkab
- coot
- ...
are all similarily comfortable to use in my opinion.
Tim
On Wed, Apr 13, 2011 at 09:18:27PM +0100, REX PALMER wrote:
Dear All
What is the best program to use for comparing two protein structures which are
very similar both structurally and wrt aa sequence? ie to get the rms
deviations both generally and in selected regions.
Rex Palmer
Birkbeck College
--
--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
phone: +49 (0)551 39 22149
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--
Gergely Katona, PhD
associate professor, docent
Department of Chemistry, University of Gothenburg
Box 462, 40530 Göteborg, Sweden
Tel: +46-31-786-3959 / M: +46-70-716-7586 / Fax: +46-31-786-3910
Web: http://www.csb.gu.se/katona, Email: gergely.kat...@chem.gu.se
