Metadata-Version: 1.2
Name: tessellate
Version: 0.3.2
Summary: A package for quantifying cyclic molecule conformations.
Home-page: https://github.com/chrisbarnettster/tessellate
Author: Christopher Bevan Barnett
Author-email: chrisbarnettster@gmail.com
License: Apache Software License 2.0
Description-Content-Type: UNKNOWN
Description: ==========
        Tessellate
        ==========
        
        
        .. image:: https://img.shields.io/pypi/v/tessellate.svg
                :target: https://pypi.python.org/pypi/tessellate
        
        .. image:: https://readthedocs.org/projects/tessellate/badge/?version=latest
                :target: https://tessellate.readthedocs.io/en/latest/?badge=latest
                :alt: Documentation Status
        
        A package for quantifying cyclic molecule conformations.
        
        
        * Free software: Apache Software License 2.0
        * Documentation: https://tessellate.readthedocs.io.
        
        Using
        -----
        
        `make install; tessellate  data/example-builtin --input-format=builtin --output-format=json `
        `make install; tessellate  data/*DNA --input-format=pdblist --output-format=json `
        
        Usecase 1 - timeseries data
        ---------------------------
        
        `make install; tessellate  data/usecase-timeseries --input-format=builtin --output-format=json --output-dir=output-usecase-timeseries`
        
        Usecase 2 - RNA and DNA
        -----------------------
        `make install; tessellate  data/usecase-*DNA --input-format=pdblist --output-format=json --output-dir=output-usecase-rnadna`
        
        Usecase 3 - Alpha Cyclodextrin
        ------------------------------
        `make install; tessellate  data/usecase-*CD --input-format=pdblist --output-format=json --output-dir=output-usecase-cyclodextrin`
        
        Run All Usecases
        ----------------
        
        ```
        tessellate  data/usecase-timeseries --input-format=builtin --output-format=json --output-dir=output-usecase-timeseries
        tessellate  data/usecase-*DNA --input-format=pdblist --output-format=json --output-dir=output-usecase-rnadna
        tessellate  data/usecase-*CD --input-format=pdblist --output-format=json --output-dir=output-usecase-cyclodextrin
        ```
        
        
        Viewing Data
        ------------
        
        Try out Montage to create reports for these datasets.
        For example:
        ```
        USECASE_DATA=output-usecase-cyclodextrin
        multiqc $USECASE_DATA -m comp_tessellate -f  # -f to overwrite existing reports
        google-chrome multiqc_report.html
        ```
        
        Compare all outputs
        ```
        multiqc output* -m comp_tessellate -f  # -f to overwrite existing reports
        google-chrome multiqc_report.html
        ```
        
        
        
        
        
        Features
        --------
        
        * Improve testing and documentation. Port existing tests over. 
        * Tables
        * Merge in tcl scripts and VMD examples
        
        
        Development
        -----------
        Bump version numbers using bumpversion
        X=thecurrentversion
        `bumpversion  --current-version X minor`
        
        To bump from x.y.z to x.y.a use patch as the part:
        `bumpversion  --current-version X patch`
        
        Uploading to PyPi
        -----------------
        Use twine
        conda install -c conda-forge twine
        make install
        make dist
        twine upload dist/*
        
        Read the Docs
        -------------
        Docs are here. RTD is authorised to acces GitHub repos. The RTD service hook builds doc on push.
        
        Credits
        ---------
        
        
        This package incorporates work from existing packages (all originally developed by Chris B. Barnett.)
        * 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
        
        
        
        =======
        History
        =======
        
        0.3.1 (2017-11-24)
        ------------------
        * Usecase, documentation update. Update requirements for PyPi.
        
        0.3.0 (2017-11-23)
        ------------------
        * First release on PyPi
        
        0.2.0 (2017-11-23)
        ------------------
        * Alpha version that can read PDBlists and builtin, can write json
        * Include examples and much verbose logging
        
        0.1.0 (2017-11-21)
        ------------------
        
        * Alpha version. Basic function
        
Keywords: tessellate
Platform: UNKNOWN
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.3
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5
Requires-Python: >=3
