peppr.PocketAlignedLigandRMSD

class peppr.PocketAlignedLigandRMSD

Compute the Pocket aligned ligand RMSD for the given PLI complex as defined in [1].

References

[1]

https://doi.org/10.1093/bioinformatics/btae586

__init__() → None

Methods

__init__()
evaluate(reference, pose)	Apply this metric on the given predicted pose with respect to the given reference.
smaller_is_better()	Whether as smaller value of this metric is considered a better prediction.

Attributes

name
thresholds