title: PDBToSDF: Create ligand structure files from PDB file.
abstract: Protein Data Bank (PDB) file contains atomic data for protein and ligand in protein-ligand complexes. Structure data file (SDF) contains data for atoms, bonds, connectivity and coordinates of molecule for ligands. We describe PDBToSDF as a tool to separate the ligand data from pdb file for the calculation of ligand properties like molecular weight, number of hydrogen bond acceptors, hydrogen bond receptors easily.
authors: Naresh Babu
authors: NB
authors: Muppalaneni
authors: Allam Appa
authors: AA
authors: Rao