Closed slochower closed 2 years ago
Ah, I can actually see now in https://github.com/HannesStark/EquiBind/blob/84fbb308b744a6b31eba3cf0095230af8a4ea7a7/commons/process_mols.py#L1140-L1205 that you only return a single mol
. In that case, consider this a feature request :)
Thanks for the idea!
This is now included thanks to @amfaber !
If I supply a ligand SDF file as input, the output SDF file has only the first ligand from the input. Is this to be expected? If my goal is to dock a bunch of ligands, is the best thing to provide multiple
name1_ligand.sdf
files?