PDBToSDF: Create ligand structure files from PDB file.
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ABSTRACT:
SUBMITTER: Muppalaneni NB
PROVIDER: S-EPMC3163917 | biostudies-literature | 2011
REPOSITORIES: biostudies-literature
Publications
PDBToSDF: Create ligand structure files from PDB file.
Muppalaneni Naresh Babu NB Rao Allam Appa AA
Bioinformation 20110802 10
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. ...[more]
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