[Biopython-dev] Added Loop Closure algorithm to rna branch.

Kristian Rother krother at rubor.de
Fri May 7 13:23:56 UTC 2010


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




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