rxDock cavity definition: - generate the active site definition needed for rxDock docking

toolshed.g2.bx.psu.edu/repos/bgruening/rxdock_rbcavity/rxdock_rbcavity/0.1.5

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0.1.5

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Computational chemistry / Virtual screening of the SARS-CoV-2 main protease with rxDock and pose scoring