PDBToSDF: Create ligand structure files from PDB file

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Title	PDBToSDF: Create ligand structure files from PDB file
Authors	Naresh Babu Muppalaneni¹ & Allam Appa Rao²*
Affiliation	¹Department of Computer Science & Engineering, Acharya Nagarjuna University, Guntur, India; ²Jawaharlal Nehru Technological University Kakinada, Kakinada, India
Email	apparaoallam@gmail.com; *Corresponding author
Article Type	Software
Date	Received June 21, 2011; Accepted June 28, 2011; Published August 02, 2011
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.
Keywords	Protein Data Bank file, Structure Data file, Molecular weight
Citation	Muppalaneni & Rao. Bioinformation 6(10): 383-386 (2011)
Edited by	P Kangueane
ISSN	0973-2063
Publisher	Biomedical Informatics
License	This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.