moleculekit.tools.moleculechecks module

moleculekit.tools.moleculechecks.areLigandsDocked(prot_file, sdf_file, threshold=10, max_check=None)
moleculekit.tools.moleculechecks.areLigandsOptimized(sdf_file, num_planes=3, max_check=None)
moleculekit.tools.moleculechecks.closestDistance(mol1, mol2)
moleculekit.tools.moleculechecks.isLigandDocked(prot, lig, threshold=10)
moleculekit.tools.moleculechecks.isLigandOptimized(mol, num_planes=3)
moleculekit.tools.moleculechecks.isProteinProtonated(mol)
moleculekit.tools.moleculechecks.proteinHasBonds(mol)