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Prediction of PROTtein Preferred Orientation on a Surface
... simulations. ProtPOS is implemented in Python, making use of the PyMOL library for generating protein conformations and calling GROMACS externally to calculate protein-surface interaction energies.
https://cbbio.online/software/protpos/
**(9 march 2016) this project is continued on github : http://jaapkroe.github.io/polypy **
Python script to analyze (shortest-path) rings in structures read from xyz-files. It can be useful for example to identify defects in crystal structures or molecules.