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PDBToSDF: Create ligand structure files from PDB file

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 calcu...

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Detalles Bibliográficos
Autores principales: Muppalaneni, Naresh Babu, Rao, Allam Appa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3163917/
https://www.ncbi.nlm.nih.gov/pubmed/21904426