Python Macromolecular Library
The Python Macromolecular Library (mmLib) is a software toolkit and library of routines for the analysis and manipulation of macromolecular structural models, implemented in the Python programming language.[1] It is accessed via a layered, object-oriented application programming interface, and provides a range of useful software components for parsing mmCIF, and PDB files, a library of atomic elements and monomers, an object-oriented data structure describing biological macromolecules, and an OpenGL molecular viewer.[2] The mmLib data model is designed to provide easy access to the various levels of detail needed to implement high-level application programs for macromolecular crystallography, NMR, modeling, and visualization. This includes specialized classes for proteins, DNA, amino acids, and nucleic acids. Also included is a extensive monomer library, element library, and specialized classes for performing unit cell calculations combined with a full space group library.
Contents
Keywords
macromolecular crystallography; computer programs; Python; mmCIF; PDB; TLSView; TLS models.
References
- ↑ Painter J, Merritt EA (2004). "mmLib Python toolkit for manipulating annotated structural models of biological macromolecules". J Appl Cryst 37(1):174-178. DOI:10.1107/S0021889803025639
- ↑ Painter J, Merritt EA (2005). "mmLib A molecular viewer for the analysis of TLS rigid-body motion in macromolecules". Acta Cryst D61(4):465-471. DOI:10.1107/S0907444905001897
