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Tutorial
Python API
Contribution

GitHub
PyPI

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Metrics

peppr.Metric
peppr.MonomerRMSD
peppr.MonomerTMScore
peppr.MonomerLDDTScore
peppr.IntraLigandLDDTScore
peppr.LDDTPLIScore
peppr.LDDTPPIScore
peppr.GlobalLDDTScore
peppr.DockQScore
peppr.LigandRMSD
peppr.InterfaceRMSD
peppr.ContactFraction
peppr.PocketAlignedLigandRMSD
peppr.BiSyRMSD
peppr.BondLengthViolations
peppr.BondAngleViolations
peppr.ClashCount

Selectors

peppr.Selector
peppr.MeanSelector
peppr.MedianSelector
peppr.OracleSelector
peppr.TopSelector
peppr.RandomSelector

Analysis functions

peppr.bisy_rmsd
peppr.find_clashes
peppr.dockq
peppr.pocket_aligned_lrmsd
peppr.lrmsd
peppr.irmsd
peppr.fnat
peppr.DockQ

Atom Matching

peppr.find_optimal_match
peppr.find_all_matches
peppr.GraphMatchWarning
peppr.UnmappableEntityError

Miscellaneous

peppr.sanitize
peppr.standardize
peppr.is_small_molecule
peppr.get_contact_residues
peppr.MatchWarning
peppr.EvaluationWarning
peppr.NoContactError

Python API
peppr.EvaluationWarning

peppr.EvaluationWarning#

exception peppr.EvaluationWarning[source]#: This warning is raised, if a Metric fails to evaluate a pose.

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EvaluationWarning

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