{ "info": { "author": "Oskar Taubert", "author_email": "oskar.taubert@kit.edu", "bugtrack_url": null, "classifiers": [ "Environment :: Console", "License :: OSI Approved :: MIT License", "Natural Language :: English", "Operating System :: POSIX :: Linux", "Programming Language :: C++", "Programming Language :: Python :: 3", "Topic :: Scientific/Engineering :: Bio-Informatics" ], "description": "diSTruct\n========\n\npython package name: distruct\nImplementation of Maxent-stress Optimization of Biomolecular systems.\n\n*diSTruct* is in essence an implementation of the MaxEnt-Stress graph drawing algorithm (Gansner, E.; Hu, Y. and North, S. C.: \"A Maxent-Stress Model for Graph Layout\" in *IEE Trans. Vis. Comput. Graph.* 2013) for generating biomolecular structures from distance constraints.\n\n## Requirements\nThe actual structure generation in diSTruct is build on the MaxEnt-stress graph drawing implementation in [NetworKit](https://networkit.iti.kit.edu).\n\nIt aims to conveniently combine this with the PDB module in [Biopython](https://biopython.org).\n\nIt also depends on *lxml* and requires *cython*.\n\n## Installation Instructions\n\nFirst install NetworKit following the instructions in their [homepage](https://networkit.iti.kit.edu).\nMake sure you can\nimport networkit\nwithout error. 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