PDB file parser and structure class implemented in Python
- PMID: 14630660
- DOI: 10.1093/bioinformatics/btg299
PDB file parser and structure class implemented in Python
Abstract
The biopython project provides a set of bioinformatics tools implemented in Python. Recently, biopython was extended with a set of modules that deal with macromolecular structure. Biopython now contains a parser for PDB files that makes the atomic information available in an easy-to-use but powerful data structure. The parser and data structure deal with features that are often left out or handled inadequately by other packages, e.g. atom and residue disorder (if point mutants are present in the crystal), anisotropic B factors, multiple models and insertion codes. In addition, the parser performs some sanity checking to detect obvious errors.
Availability: The Biopython distribution (including source code and documentation) is freely available (under the Biopython license) from http://www.biopython.org
Similar articles
-
Biopython: freely available Python tools for computational molecular biology and bioinformatics.Bioinformatics. 2009 Jun 1;25(11):1422-3. doi: 10.1093/bioinformatics/btp163. Epub 2009 Mar 20. Bioinformatics. 2009. PMID: 19304878 Free PMC article.
-
GenomeDiagram: a python package for the visualization of large-scale genomic data.Bioinformatics. 2006 Mar 1;22(5):616-7. doi: 10.1093/bioinformatics/btk021. Epub 2005 Dec 23. Bioinformatics. 2006. PMID: 16377612
-
MolTalk--a programming library for protein structures and structure analysis.BMC Bioinformatics. 2004 Apr 19;5:39. doi: 10.1186/1471-2105-5-39. BMC Bioinformatics. 2004. PMID: 15096277 Free PMC article.
-
Common file formats.Curr Protoc Bioinformatics. 2007 Jan;Appendix 1:Appendix 1B. doi: 10.1002/0471250953.bia01bs16. Curr Protoc Bioinformatics. 2007. PMID: 18428774 Review.
-
Interoperability with Moby 1.0--it's better than sharing your toothbrush!Brief Bioinform. 2008 May;9(3):220-31. doi: 10.1093/bib/bbn003. Epub 2008 Jan 31. Brief Bioinform. 2008. PMID: 18238804 Review.
Cited by
-
An evolutionary method for learning HMM structure: prediction of protein secondary structure.BMC Bioinformatics. 2007 Sep 21;8:357. doi: 10.1186/1471-2105-8-357. BMC Bioinformatics. 2007. PMID: 17888163 Free PMC article.
-
Mining anion-aromatic interactions in the Protein Data Bank.Chem Sci. 2022 Mar 1;13(14):3984-3998. doi: 10.1039/d2sc00763k. eCollection 2022 Apr 6. Chem Sci. 2022. PMID: 35440982 Free PMC article.
-
Quantifying constraint in the human mitochondrial genome.Nature. 2024 Nov;635(8038):390-397. doi: 10.1038/s41586-024-08048-x. Epub 2024 Oct 16. Nature. 2024. PMID: 39415008 Free PMC article.
-
Two-Level Protein Methylation Prediction using structure model-based features.Sci Rep. 2020 Apr 7;10(1):6008. doi: 10.1038/s41598-020-62883-2. Sci Rep. 2020. PMID: 32265459 Free PMC article.
-
A Structure-Based Computational Pipeline for Broad-Spectrum Antiviral Discovery.bioRxiv [Preprint]. 2025 Jul 30:2025.07.29.667267. doi: 10.1101/2025.07.29.667267. bioRxiv. 2025. PMID: 40766596 Free PMC article. Preprint.
Publication types
MeSH terms
Substances
LinkOut - more resources
Full Text Sources
Other Literature Sources