search

DeltaGroupNJUPT / Vina-GPU-2.1

Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening
Apache License 2.0
42 stars 12 forks source link

FR: Support for --maps arguments as in non-GPU AutoDock Vina #33

Open aaronegolden opened 3 weeks ago

aaronegolden commented 3 weeks ago

Is it feasible to add support for the --maps argument from non-GPU vina, to support workflows with custom force field maps, as in the docking_zinc tutorial?

https://autodock-vina.readthedocs.io/en/latest/docking_zinc.html#a-using-autodock4-forcefield