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GetCleft

The Get_Cleft program detects cavities in PDB-formated macromolecular structure models. It is based on the Surfnet algorithm of Laskowski et al. Get_Cleft is used by IsoMIF as well as FlexAID and the NRGsuite.

To compile GetCleft:

gcc Get_Cleft.c -o Get_Cleft -O3

GetCleft is also available to be installed as a python package: https://pypi.org/project/getcleft-py/