[MMTK] knowledge-based potential energy (scoring) function for 3D
protein fold recognition
al at biolinux.ch
Mon Dec 15 15:17:17 CET 2003
Dear MMTK users,
Berfore I start to implement this of myself, do you know if there are
already any python implementation of knowledge-based scoring functions
deriving potentials of mean force from existing PDB structures.
I am also interessted of any python implementation of any scoring
functions aiming to measure the potential energy of a protein
conformation (exlcuded those already existing in the MMTK ForceField class).
In any case the Hinsen library (thank you Konrad for your great work)
with its Forcefield class will make the work far more easier. But again
before reinventing the wheel I am sure that this has been already done.
thank you for you help
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