Hi everybody,
I Just want to announce that I have developed a new plugin named Optimize.
Optimize provides a PyMOL graphical interface to some of the molecular
mechanics features available in openbabel, allowing the user to minimize
the energy of any molecule uploaded on PyMOL.
In our Research Group we use PyMOL as a python/PyMOL library to perform
some molecular modelling routines and as a platform to teach an
introductory course about structural bioinformatics. My intention is to
keep adding features to optimize with these two goals in mind. In the near
(I hope very near) future I will add Monte Carlo routines for bio-molecules
(Proteins, Glycans and DNA/RNA).
Cheers,
Osvaldo Martin.
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