Add new args to AutoDock-Vina wrapper

bioexcel / biobb_vs

Biobb_vs is the Biobb module collection to perform virtual screening studies.

https://mmb.irbbarcelona.org/biobb/

Apache License 2.0

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Closed ndonyapour closed 8 months ago

ndonyapour commented 8 months ago

Hello, I've added num_modes, min_rmsd and nergy_range flags to the AutoDock-Vina wrapper.

Best, Nazanin

gbayarri commented 8 months ago

Hi @ndonyapour, thanks for your contribution! It will be added in the next release.

best.