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Felix Simkovic committed Mar 14, 2018
2 parents 7ae7464 + ccf669e commit 08f67ab
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19 changes: 19 additions & 0 deletions CHANGELOG.rst
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Changelog
=========

[Unreleased]
------------
Added
~~~~~
- ``conkit.plot`` subpackage refactored to allow ``matplotlib`` access of ``Figure`` instances. This provides
functionality similar to ``seaborn``, so ``matplotlib.Axes`` can be provided into which a plot is drawn.
- ``ContactMap.as_list`` function to represent the contact map as a 2D-list of residue indexes
- ``conkit.misc.normalize`` function to apply Feature scaling normalization
- ``CONTRIB.rst`` file to list all contributors
- ``SequenceFile.diversity`` property defined by :math:`\sqrt{N}/L`
- ``ContactMap.reindex`` to reindex a contact map given a new starting index
- ``ContactMap.singletons`` returns a copy of the contact map with singleton contacts, i.e. ones without neighbors
Changed
~~~~~~~
- Changed API interface for ``conkit.plot`` in accordance to necessary changes for above
- ``ContactMapFigure`` now accepts ``lim`` parameters for axes limits
- ``ContactMapFigure`` and ``ContacctMapChordFigure`` improved to better space marker size
- Typos corrected in documentation

[0.8.4]
-------
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11 changes: 11 additions & 0 deletions CONTRIB.rst
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Contributors
============

This is a list of people who have made contributions to ConKit.

- `Daniel Rigden <https://github.com/DanielRigden>`_
- `Adam Simpkin <https://github.com/hlasimpk`_
- `Felix Simkovic <https://github.com/fsimkovic>`_
- `Jens Thomas <https://github.com/DanielRigden>`_
- `Stefan Seemayer <https://github.com/sseemayer>`_
2 changes: 1 addition & 1 deletion LICENSE.txt
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BSD 3-Clause License

Copyright (c) 2016, University of Liverpool
Copyright (c) 2016-18, University of Liverpool
All rights reserved.

Redistribution and use in source and binary forms, with or without
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13 changes: 0 additions & 13 deletions README.rst
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++++++++++++
Please use the `GitHub Issue Tracker`_.

Contributors
++++++++++++

- `Felix Simkovic <https://github.com/fsimkovic>`_
- `Jens Thomas <https://github.com/linucks>`_
- `Daniel Rigden <https://github.com/DanielRigden>`_


Ackowledgements
+++++++++++++++
- `Stefan Seemayer <https://github.com/sseemayer>`_


.. _GitHub Issue Tracker: https://github.com/rigdenlab/conkit/issues
2 changes: 1 addition & 1 deletion conkit/__init__.py
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# BSD 3-Clause License
#
# Copyright (c) 2016-17, University of Liverpool
# Copyright (c) 2016-18, University of Liverpool
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
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2 changes: 1 addition & 1 deletion conkit/applications/__init__.py
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#
# BSD 3-Clause License
#
# Copyright (c) 2016-17, University of Liverpool
# Copyright (c) 2016-18, University of Liverpool
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
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2 changes: 1 addition & 1 deletion conkit/applications/bbcontacts.py
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#
# BSD 3-Clause License
#
# Copyright (c) 2016-17, University of Liverpool
# Copyright (c) 2016-18, University of Liverpool
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
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2 changes: 1 addition & 1 deletion conkit/applications/ccmpred.py
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#
# BSD 3-Clause License
#
# Copyright (c) 2016-17, University of Liverpool
# Copyright (c) 2016-18, University of Liverpool
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
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2 changes: 1 addition & 1 deletion conkit/applications/cdhit.py
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#
# BSD 3-Clause License
#
# Copyright (c) 2016-17, University of Liverpool
# Copyright (c) 2016-18, University of Liverpool
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
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2 changes: 1 addition & 1 deletion conkit/applications/hhblits.py
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#
# BSD 3-Clause License
#
# Copyright (c) 2016-17, University of Liverpool
# Copyright (c) 2016-18, University of Liverpool
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
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2 changes: 1 addition & 1 deletion conkit/applications/hhfilter.py
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#
# BSD 3-Clause License
#
# Copyright (c) 2016-17, University of Liverpool
# Copyright (c) 2016-18, University of Liverpool
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
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2 changes: 1 addition & 1 deletion conkit/applications/jackhmmer.py
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#
# BSD 3-Clause License
#
# Copyright (c) 2016-17, University of Liverpool
# Copyright (c) 2016-18, University of Liverpool
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
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2 changes: 1 addition & 1 deletion conkit/applications/psicov.py
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#
# BSD 3-Clause License
#
# Copyright (c) 2016-17, University of Liverpool
# Copyright (c) 2016-18, University of Liverpool
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
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2 changes: 1 addition & 1 deletion conkit/command_line/__init__.py
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# BSD 3-Clause License
#
# Copyright (c) 2016-17, University of Liverpool
# Copyright (c) 2016-18, University of Liverpool
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
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2 changes: 1 addition & 1 deletion conkit/command_line/conkit_convert.py
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#
# BSD 3-Clause License
#
# Copyright (c) 2016-17, University of Liverpool
# Copyright (c) 2016-18, University of Liverpool
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
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16 changes: 8 additions & 8 deletions conkit/command_line/conkit_msatool.py
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#
# BSD 3-Clause License
#
# Copyright (c) 2016-17, University of Liverpool
# Copyright (c) 2016-18, University of Liverpool
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
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import conkit.command_line
import conkit.io
import conkit.plot
import conkit.plot.tools

logger = None


def main():
parser = argparse.ArgumentParser(
description=__doc__, formatter_class=argparse.RawDescriptionHelpFormatter)
parser = argparse.ArgumentParser(description=__doc__, formatter_class=argparse.RawDescriptionHelpFormatter)
parser.add_argument('msafile', help='Multiple Sequence Alignment file')
parser.add_argument('msaformat', help='Multiple Sequence Alignment format')
args = parser.parse_args()

# Setup the logger
global logger
logger = conkit.command_line.setup_logging(level='info')

# Compute all the data
msa = conkit.io.read(args.msafile, args.msaformat)

plot = args.msafile.rsplit('.', 1)[0] + '.png'
conkit.plot.SequenceCoverageFigure(msa, file_name=plot)
figure = conkit.plot.SequenceCoverageFigure(msa, legend=True)
figure.ax.set_aspect(conkit.plot.tools.get_adjusted_aspect(figure.ax, 0.3))
figure.savefig(plot)

logger.info('Input MSA File: %s', args.msafile)
logger.info('Input MSA Format: %s', args.msaformat)
logger.info('Length of the Target Sequence: %d',
msa.top_sequence.seq_len)
logger.info('Length of the Target Sequence: %d', msa.top_sequence.seq_len)
logger.info('Total Number of Sequences: %d', msa.nseq)
logger.info('Number of Effective Sequences: %d', msa.neff)
logger.info('Sequence Coverage Plot: %s', plot)
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