[BioC] calculate interaction between aminoacids residues

A.J. Rossini rossini at blindglobe.net
Wed Oct 29 14:05:09 MET 2003

As far as I'm aware, we don't yet have code to compute with proteins,
though that is something that would be useful to do.


Fabien Crozet <fabien_crozet at yahoo.fr> writes:

>>From a particular PDB file I would like to calculate
> the interactions between residues. Two residues are
> considered interacting if any of their atoms
> (excluding hydrogen) are within a particular cutoff
> distance.
> The main goal is to compare 2 PDB files with little
> differences and then determines the number of
> interactions that are disrupted. 
> I wonder if there are bioconductor package that can be
> adapted for these kinds of statiscal analysis... I
> don't know too much about the differents packages and
> if someone can give me a suggestion for it, i would
> appreciate a lot !
> Thanks for help.
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rossini at u.washington.edu            http://www.analytics.washington.edu/ 
Biomedical and Health Informatics   University of Washington
Biostatistics, SCHARP/HVTN          Fred Hutchinson Cancer Research Center
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