mol_data / pockets_center_frame_cartesian /valid.lmdb.meta.json
shaipranesh's picture
Upload pocket data
b93d946 verified
Raw
History Blame Contribute Delete
457 Bytes
{
"count": 164409,
"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/valid.lmdb",
"special_entries": 0
}