[Biopython] Contact Area Difference as an alternative to RMSD

Christian Schaefer schaefer at rostlab.org
Tue Aug 24 13:37:19 UTC 2010


Hi,

I'd be interested in the above alternative measure for structural 
difference as desribed in [1]. I know that there exists an 
implementation to make it useable via Python: It's a wrapper around 
icm-browser [2] implemented in the Biskit library [3]. However, it's a 
real pain to get the whole pipeline working and I haven't succeeded so far.
So, does anybody know of an alternative implementation of CAD that is 
easy to use via python?

Thanks,
Chris

[1] Abagyan RA, Totrov MM. Contact area difference (CAD): a robust 
measure to evaluate accuracy of protein models. J Mol Biol. 1997 May 
9;268(3):678-85.
[2] http://www.molsoft.com/index.html
[3] http://biskit.pasteur.fr/

-- 
Dipl.-Bioinf. Christian Schaefer
Technical University Munich
Department for Bioinformatics
Faculty of Computer Science/I12
Boltzmannstr. 3
D-85748 Garching b. Muenchen
Germany
http://www.rostlab.org/~schaefer



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