{ "count": 3123776, "dropped_collinear": 0, "errors": 0, "frame_rule": "heavy atoms only for frame selection; center=mean of heavy atom coordinates; origin=nearest heavy atom to center; axis/plane=nearest ranked heavy atoms forming a non-collinear frame; x=normalize(r2-r1), y=normalize((r3-r1) cross x), z=x cross y; all atom coordinates are transformed", "source": "/home/s/shai/scratch/mol_data/data/pockets/train.lmdb", "special_entries": 0 }