peppr.GlobalLDDTScore#

class peppr.GlobalLDDTScore(backbone_only: bool = True)[source]#

Compute the lDDT score for all contacts in the system, i.e. both intra- and inter-chain contacts. This is equivalent to the original lDDT definition in [1].

Parameters:
backbone_onlybool, optional

If True, only consider \(C_{\alpha}\) from peptides and \(C_3^'\) from nucleic acids. Otherwise, consider all heavy atoms.

References

__init__(backbone_only: bool = True) → None#

Methods

__init__([backbone_only])

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