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genki-kudo / Pocket-to-Concavity

Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres
MIT License
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Utilization of biobb_vs for fpocket execution #3

Closed genki-kudo closed 1 month ago

genki-kudo commented 1 month ago

In the P2C v1.1, fpocket4 is installed by users; however, fpocket is contained as the submodule in the biobb_vs. (https://biobb-vs.readthedocs.io/en/latest/fpocket.html#) The utilization of this submodule will be helpful for useability.

For the update, you must check whether this submodule correctly works the same of original software.

genki-kudo commented 1 month ago

I had expected this module would help make fpocket easier to install for Mac users; however, it did not work for Mac with Apple Silicon. Only Linux and Mac with intel silicon make us provide fpocket execution at this time.