[Biopython-dev] Added Loop Closure algorithm to rna branch.
Peter
biopython at maubp.freeserve.co.uk
Fri May 7 13:42:02 UTC 2010
On Fri, May 7, 2010 at 2:23 PM, Kristian Rother <krother at rubor.de> wrote:
>
> Hi,
>
> We've prepared some code that we would like to propose for inclusion to
> the community:
>
> Bio.PDB.CoordBuilder
> Constructs 3D coordinates based on 3 atoms + distance + angle +
> dihedral.
> Uses the NerF algorithm also used in the ROSETTA protein prediction
> program.
>
> Bio.PDB.FCCDLoopCloser
> Iteratively optimizes a dangling chain of atoms until they
> reach a defined target site.
> Refactored version of Wouter Boomsmas and Thomas Hamelrycks algorithm.
>
>
> Code + tests have been commited to krother/biopython, branch *rna* on github.
>
> We hope this is useful.
>
> Cheers,
> Kristian, Magdalena, Tomek
>
Sounds very interesting. Eric - can you take a look at this?
We could potentially merge this after Biopython 1.54 is out the door...
Peter
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