[Biojava-dev] Isoelectric point calculation

[mark.schreiber at novartis.com]

Hi George -

This probably should be reported as a bug in bugzilla to make sure we get 
around to fixing it.

Thanks,

- Mark





"george waldon" <gwaldon at geneinfinity.org>
Sent by: biojava-dev-bounces at lists.open-bio.org
04/03/2007 07:56 AM
Please respond to george waldon

 
        To:     biojava-dev at biojava.org
        cc:     smh1008 at cam.ac.uk, (bcc: Mark Schreiber/GP/Novartis)
        Subject:        [Biojava-dev] Isoelectric point calculation


Hi,

Trying to solve the problem of symbol ambiguity in pI calculation that was 
brought to our attention on Biojava-1, I found a few problems, in 
particular (!) calculated pI values are incorrect, BinarySearch throw 
exceptions, and the ResidueProperties.xml has some strange values, such as 
pK of Glu at -4.25.
The class IsoelectricPointCalc was written a long time ago and I hope to 
get in touch with the original author and have a corrected code rapidly. 
As a general rule, scientific biomethods and biodata put in biojava need 
precise literature references. Javadocs are a good place for that.

- George
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