资 源 简 介
PDB-climb is a suite of Python command line tools for manipulating molecular structure information in PDB (Protein Data Bank) format files. The name part "climb" refers to the major component which is a command line interface molecule builder, though other tools such as torsion angle measurement and setting are provided. The PDB format is one frequently used in modelling macromolecular (protein, DNA, carbohydrate) structures and their interactions with small molecules.
Some bugs in reading PDB files were found, atoms with negative Z coordinate may have been incorrectly loaded.
Bugfix update July 2012.
Code copyright Syngenta Ltd Feb 2011.
