mmLib: Python Macromolecular Library

Time 2020-09-08 11:03:39

Web Name: mmLib: Python Macromolecular Library

WebSite: http://pymmlib.sourceforge.net

ID:39675

Keywords:

Python,mmLib,Library,

Description:

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. It is accessed via a layered, object-oriented application programming interface, and provides a range of usefulsoftware components for parsing mmCIF, and PDB files, a library of atomicelements and monomers, an object-oriented data structure describing biologicalmacromolecules, and an OpenGL molecular viewer. The mmLib data model is designed to provide easy access to the various levels of detail needed to implementhigh-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, andspecialized classes for performing unit cell calculations combined with a full spacegroup library.VersionsVersion 1.1.0 was released in September 2010, but was not distributed as a tarball.Version 1.2.0 was released (with tarball) in June 2011.ApplicationsTwo applications are distributed with mmLib. One is a GUI mmCIF editor which utilizesthe GTK toolkit. The other is a OpenGL molecular viewer.TLS Molecular Viewer (tlsviewer.py)A OpenGL molecular viewer using the mmLib.GLViewer rendering moduleand the GTK-2.0 toolkit. Features include(links to screenshots): TLSView Manual Multiple Tabbed Viewers (like Mozilla) Thermal Ellipsoids TLS (Rigid Body ADP Model) Displacement Animation and VisualizationmmCIF GUI File EditorA GUI editor for mmCIF files using the GTK-2.0 toolkit.Screenshot.PublicationsJ. Painter and E.A. Merritt (2004)"mmLib Python toolkit for manipulating annotated structural models of biological macromolecules". J. Appl. Cryst. 37, 174-178(Copyright International Union of Crystallography).reprint (PDF document)J. Painter and E.A. Merritt (2005)"mmLib A molecular viewer for the analysis of TLS rigid-body motion in macromolecules." Acta Cryst. D61, 465-471(Copyright International Union of Crystallography).reprint (PDF document)F. Zucker, P.C. Champ, and E.A. Merritt (2010)"Validation of crystallographic models containing TLS or other descriptions of anisotropy".Acta Cryst. D66, 889-900.(Copyright International Union of Crystallography).reprint (PDF document)Documentation Ethan Merritt: merritt _at_ u.washington.edu Jay Painter: jay.painter _at_ gmail.com

TAGS:Python mmLib Library 

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