[Biojava-l] predicting atoms from backbone

[Andreas Prlic]

Hi Jay,

I guess you want to do something like that:
http://peds.oxfordjournals.org/content/5/2/147.abstract

Although all the tools for such calculations are available in BioJava,
there is currently no simple method call that allows to calculate such
a mainchain-model.

Before doing any coding, probably best to check out other software
like COOT, if it can do that...

Andreas

On Sun, Dec 12, 2010 at 2:42 PM, Jay Vyas <jayunit100 at gmail.com> wrote:
> Hi guys :
>
> Im trying to add C, O , and N atoms to a protein structure, when I only have
> a backbone trace..
> That is, I have a series of CA atoms in a backbone of a protein structure,
> and I want to generate other atom coordinates.
>
> I know biojava can add hydrogents... Anybody have any ideas about how to add
> and predict other atoms?
>
> --
> Jay Vyas
> MMSB/UCHC
> _______________________________________________
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>



-- 
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Dr. Andreas Prlic
Senior Scientist, RCSB PDB Protein Data Bank
University of California, San Diego
(+1) 858.246.0526
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