v2.0 series come with new and improved sequence, structure, and dynamics analysis features. See release notes for details.

Bakan A, Meireles LM, Bahar I ProDy: Protein Dynamics Inferred from Theory and Experiments
Bioinformatics 2011 27(11):1575-1577.

Bakan A, Dutta A, Mao W, Liu Y, Chennubhotla C, Lezon TR, Bahar I Evol and ProDy for Bridging Protein Sequence Evolution and Structural Dynamics
Bioinformatics 2014 30(18):2681-2683.

Supporting Functions¶

This module defines functions for using compounds from the PDB and elsewhere.

calc2DSimilarity(smiles1, smiles2)[source]¶

Calculate 2D similarity using Morgan Fingerprints

Parameters:	smiles1 (str, `PDBLigandRecord`) – first SMILES string or PDBLigandRecord containing one smiles2 (str, `PDBLigandRecord`) – second SMILES string or PDBLigandRecord containing one