File size: 457 Bytes
b93d946 | 1 2 3 4 5 6 7 8 | {
"count": 164409,
"dropped_collinear": 0,
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"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
} |