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DeltaGroupNJUPT / Vina-GPU

A heterogeneous OpenCL implementation of AutoDock Vina
Apache License 2.0
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The ligand of autodock vina molecular docking contains boron, which cannot be completed #39

Open CCTVastu opened 1 year ago

CCTVastu commented 1 year ago

The ligand of autodock vina molecular docking contains boron, which cannot be completed

Glinttsd commented 1 year ago

Hi, can you provide the ligand file? so that we can recover the problem, thanks

CCTVastu commented 1 year ago

here，i supply the sdf and pdbqt of the ligand，thanks a lot lig.zip