[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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