[MMTK] knowledge-based potential energy (scoring) function for 3D protein fold recognition

Antoine Logean 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

Antoine Logean




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