Use flexible docking outputs from Vina

[eventfulsean]

Hi Maciej,

Is ODDT expected to properly treat ligands written via flexible docking with Vina? The ligand pdbqt files also contain coordinates of the altered residue geometries.

Thanks,
Sean

[mwojcikowski]

Flexible side chains via --flex Vina argument are not supported right now. If you can provide a working example I can try to make it work, as it should not be very complicated. Although I have not use that mode personally.