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zenpdb

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SummaryZenPDB is a Python module to process and analyze macromolecular structures. Macromolecular structures are represented as hierarchically nested python dictionaries, which allows to traverse and manipulate them in a pythonic way and implement structural biology algorithms compactly. This module ... [More] is also useful to establish processing pipelines. ZenPDB is currently capable of parsing and writing PDB files, but PDBML input is also planned. ZenPDB provides fast and versatile Cython implementations of important algorithms in structural biology, namely accessible surface area (ASA) and distance contact calculations by using kd-trees for nearest neighbour look-up. It is crystallography-aware and can construct crystal lattices, unit cells and biological units. DocumentationInstallationDependencies [Less]

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  pdb bioinformatics cython structural python asa contacts kd-tree
 
 
 
 

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