PDB file parser and structure class implemented in Python']Python

被引:176
作者
Hamelryck, T
Manderick, B
机构
[1] Free Univ Brussels VIB, Dept Cellular & Mol Interact, B-1050 Brussels, Belgium
[2] Free Univ Brussels, Dept Comp Sci, Computat Modeling Lab COMO, B-1050 Brussels, Belgium
关键词
D O I
10.1093/bioinformatics/btg299
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
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 (it 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.
引用
收藏
页码:2308 / 2310
页数:3
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