Geodesic interpolation

The method is taken from J. Chem. Phys. 150, 164103 (2019); https://doi.org/10.1063/1.5090303.

1. Installation
Download source files from the Supp. Information of the paper.

sudo python3 setup.py install

2. It was installed by python3, the /usr/bin/python should point to python3. Otherwise, it won't work.

3. Runing by

geodesic_interpolate yourfilename.xyz

cf) geodesic_interpolate calcium_binding.xyz


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