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A package for quantifying cyclic molecule conformations.

Project description

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Tessellate
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:alt: Updates


A package for quantifying cyclic molecule conformations.


* Free software: Apache Software License 2.0
* Documentation: https://tessellate.readthedocs.io.

Using
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`make install; tessellate data/example-builtin --input-format=builtin --output-format=json `
`make install; tessellate data/*DNA --input-format=pdblist --output-format=json `

Features
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* Improve testing and documentation
* Tables
* Merge in tcl scripts and VMD examples


Development
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Bump version numbers using bumpversion
X=thecurrentversion
`bumpversion --current-version X minor`

Uploading to PyPi
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Use twine
conda install -c conda-forge twine
make install
make dist
twine upload dist/*

Credits
---------


This package incorporates work from existing packages.
* https://bitbucket.org/scientificomputing/triangular-tessellation-class http://git.cem.uct.ac.za/analysis-pucker/triangular-tessellation-class
* https://bitbucket.org/scientificomputing/ring-analytics-webserver https://bitbucket.org/rxncor/rad-dev http://git.cem.uct.ac.za/analysis-pucker/ring-analytics-dash
* https://bitbucket.org/scientificomputing/triangular-tessellation-in-vmd http://git.cem.uct.ac.za/analysis-pucker/triangular-decomposition-timeseries-in-VMD

This package was created with Cookiecutter_ and the `audreyr/cookiecutter-pypackage`_ project template.

.. _Cookiecutter: https://github.com/audreyr/cookiecutter
.. _`audreyr/cookiecutter-pypackage`: https://github.com/audreyr/cookiecutter-pypackage



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History
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0.3.0 (2017-11-23)
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* First release on PyPi

0.2.0 (2017-11-23)
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* Alpha version that can read PDBlists and builtin, can write json
* Include examples and much verbose logging

0.1.0 (2017-11-21)
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* Alpha version. Basic function


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