Metadata-Version: 2.1
Name: distruct
Version: 0.0.7
Summary: a package to generate 3d molecular structures from distance constraints
Home-page: https://github.com/KIT-MBS/distruct
Author: Oskar Taubert
Author-email: oskar.taubert@kit.edu
License: UNKNOWN
Download-URL: https://pypi.python.org/pypi/distruct
Description: diSTruct
        ========
        
        python package name: distruct
        Implementation of Maxent-stress Optimization of Biomolecular systems.
        
        *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.
        
        ## Requirements
        The actual structure generation in diSTruct is build on the MaxEnt-stress graph drawing implementation in [NetworKit](https://networkit.iti.kit.edu).
        
        It aims to conveniently combine this with the PDB module in [Biopython](https://biopython.org).
        
        It also depends on *lxml* and requires *cython*.
        
        ## Installation Instructions
        
        First install NetworKit following the instructions in their [homepage](https://networkit.iti.kit.edu).
        Make sure you can
        import networkit
        without error. Sometimes there are issues with automatically installing all dependenicies.
        Simply install missing packages manually.
        
        Install cython, Biopython and lxml.
        Install *diSTruct* with
        
        pip install distruct
        
        To run *diSTruct* it may be necessary to set your LD_LIBRARY_PATH to find the NetworKit extension.
        *diSTruct* gives further instructions on importing.
        
        ## Publications
        
        ## Tests
        To run the python tests run "make test".
        
Keywords: biomolecules,graph drawing
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: C++
Classifier: Environment :: Console
Classifier: Natural Language :: English
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: POSIX :: Linux
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Description-Content-Type: text/markdown
