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MDAnalysis

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2.7.0 MDAnalysis-2.7.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
MDAnalysis-2.7.0-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
MDAnalysis-2.7.0-cp39-cp39-win_amd64.whl
MDAnalysis-2.7.0-cp39-cp39-macosx_10_9_x86_64.whl
MDAnalysis-2.7.0-cp39-cp39-macosx_11_0_arm64.whl
MDAnalysis-2.7.0-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
MDAnalysis-2.7.0-cp312-cp312-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
MDAnalysis-2.7.0-cp312-cp312-win_amd64.whl
MDAnalysis-2.7.0-cp312-cp312-macosx_10_9_x86_64.whl
MDAnalysis-2.7.0-cp312-cp312-macosx_11_0_arm64.whl
MDAnalysis-2.7.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
MDAnalysis-2.7.0-cp311-cp311-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
MDAnalysis-2.7.0-cp311-cp311-win_amd64.whl
MDAnalysis-2.7.0-cp311-cp311-macosx_10_9_x86_64.whl
MDAnalysis-2.7.0-cp311-cp311-macosx_11_0_arm64.whl
MDAnalysis-2.7.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
MDAnalysis-2.7.0-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
MDAnalysis-2.7.0-cp310-cp310-win_amd64.whl
MDAnalysis-2.7.0-cp310-cp310-macosx_10_9_x86_64.whl
MDAnalysis-2.7.0-cp310-cp310-macosx_11_0_arm64.whl

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Project: MDAnalysis
Version: 2.7.0
Filename: MDAnalysis-2.7.0-cp39-cp39-win_amd64.whl
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Size: 4003658
MD5: 31125df523f9c55d1fc08c7b9b9572d0
SHA256: 345043a6365237a55d20f8dc0e31aa1d4e09e348ca8e1877dee6a2a6f6500c0b
Uploaded: 2023-12-27 00:28:44 +0000

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Metadata-Version: 2.1
Name: MDAnalysis
Version: 2.7.0
Summary: An object-oriented toolkit to analyze molecular dynamics trajectories.
Author: MDAnalysis Development Team
Author-Email: MDAnalysis Development Team <mdanalysis[at]numfocus.org>
Maintainer: MDAnalysis Core Developers
Maintainer-Email: MDAnalysis Core Developers <mdanalysis[at]numfocus.org>
Home-Page: https://www.mdanalysis.org
Download-Url: https://github.com/MDAnalysis/mdanalysis/releases
Project-Url: Documentation, https://docs.mdanalysis.org/
Project-Url: User Guide, https://userguide.mdanalysis.org/
Project-Url: Issue Tracker, https://github.com/mdanalysis/mdanalysis/issues
Project-Url: User Group, https://groups.google.com/g/mdnalysis-discussion/
Project-Url: Discord, https://discord.com/channels/807348386012987462/
Project-Url: Blog, https://www.mdanalysis.org/blog/
Project-Url: Twitter, https://twitter.com/mdanalysis
Project-Url: Source, https://github.com/mdanalysis/mdanalysis
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You should also get your employer (if you work as a programmer) or your school, if any, to sign a "copyright disclaimer" for the program, if necessary. Here is a sample; alter the names: Yoyodyne, Inc., hereby disclaims all copyright interest in the program `Gnomovision' (which makes passes at compilers) written by James Hacker. <signature of Ty Coon>, 1 April 1989 Ty Coon, President of Vice This General Public License does not permit incorporating your program into proprietary programs. If your program is a subroutine library, you may consider it more useful to permit linking proprietary applications with the library. If this is what you want to do, use the GNU Library General Public License instead of this License. ========================================================================== Gromacs xdrfile library for reading XTC/TRR trajectories - lib/formats/src/xdrfile.c - lib/formats/src/xdrfile_xtc.c - lib/formats/src/xdrfile_trr.c - lib/formats/include/xdrfile.h - lib/formats/include/xdrfile_xtc.h - lib/formats/include/xdrfile_trr.h Copyright (c) 2009-2014, Erik Lindahl & David van der Spoel All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. 2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ========================================================================== CatDCD is released under the UIUC Open Source License: http://www.ks.uiuc.edu/Development/MDTools/catdcd/license.html University of Illinois Open Source License Copyright 2003-2007 Theoretical and Computational Biophysics Group, All rights reserved. Developed by: Theoretical and Computational Biophysics Group University of Illinois at Urbana-Champaign http://www.ks.uiuc.edu/ Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the Software), to deal with the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimers. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimers in the documentation and/or other materials provided with the distribution. Neither the names of Theoretical and Computational Biophysics Group, University of Illinois at Urbana-Champaign, nor the names of its contributors may be used to endorse or promote products derived from this Software without specific prior written permission. THE SOFTWARE IS PROVIDED AS IS, WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS WITH THE SOFTWARE. ========================================================================== Biopython License Agreement Permission to use, copy, modify, and distribute this software and its documentation with or without modifications and for any purpose and without fee is hereby granted, provided that any copyright notices appear in all copies and that both those copyright notices and this permission notice appear in supporting documentation, and that the names of the contributors or copyright holders not be used in advertising or publicity pertaining to distribution of the software without specific prior permission. THE CONTRIBUTORS AND COPYRIGHT HOLDERS OF THIS SOFTWARE DISCLAIM ALL WARRANTIES WITH REGARD TO THIS SOFTWARE, INCLUDING ALL IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS, IN NO EVENT SHALL THE CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY SPECIAL, INDIRECT OR CONSEQUENTIAL DAMAGES OR ANY DAMAGES WHATSOEVER RESULTING FROM LOSS OF USE, DATA OR PROFITS, WHETHER IN AN ACTION OF CONTRACT, NEGLIGENCE OR OTHER TORTIOUS ACTION, ARISING OUT OF OR IN CONNECTION WITH THE USE ========================================================================== transformations module - transformations.py - transformations.c Copyright (c) 2006, Christoph Gohlke Copyright (c) 2006-2010, The Regents of the University of California All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the copyright holders nor the names of any contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ========================================================================== pyqcprot (src/pyqcprot) is released under the following 'BSD 3-clause' licence: ----------------------------------------------------------------------------- PyQCPROT Author(s) of Original Implementation: Douglas L. Theobald Department of Biochemistry MS 009 Brandeis University 415 South St Waltham, MA 02453 USA dtheobald@brandeis.edu Pu Liu Johnson & Johnson Pharmaceutical Research and Development, L.L.C. 665 Stockton Drive Exton, PA 19341 USA pliu24@its.jnj.com For the original code written in C see: http://theobald.brandeis.edu/qcp/ Author of Python Port: Joshua L. Adelman Department of Biological Sciences University of Pittsburgh Pittsburgh, PA 15260 jla65@pitt.edu If you use this QCP rotation calculation method in a publication, please reference: Douglas L. Theobald (2005) "Rapid calculation of RMSD using a quaternion-based characteristic polynomial." Acta Crystallographica A 61(4):478-480. Pu Liu, Dmitris K. Agrafiotis, and Douglas L. Theobald (2010) "Fast determination of the optimal rotational matrix for macromolecular superpositions." J. Comput. Chem. 31, 1561-1563. Copyright (c) 2009-2010, Pu Liu and Douglas L. Theobald Copyright (c) 2011 Joshua L. Adelman All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the <ORGANIZATION> nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ========================================================================== MDAnalysis logo (see doc/sphinx/source/logos) The MDAnalysis 'Atom' logo was created by Christian Beckstein and is Copyright (c) 2011 Christian Beckstein MDAnalysis Logo 'Atom' by Christian Beckstein is licensed under a Creative Commons Attribution-NoDerivs 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nd/3.0/ or send a letter to Creative Commons, 444 Castro Street, Suite 900, Mountain View, California, 94041, USA. The logo is contained in the file 'mdanalysis-logo.png'. Derivatives in the files 'mdanalysis-logo-127x55.png', 'mdanalysis-logo-200x150.png', 'mdanalysis-logo.ico' were created for inclusion in MDAnalysis and on websites related to MDAnalysis. They are distributed under the same license as the 'Atom' logo. ==========================================================================
Keywords: python,science,chemistry,biophysics,molecular-dynamics,computational-chemistry,molecular-simulation,analysis,trajectory-analysis
Classifier: Development Status :: 6 - Mature
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Classifier: Operating System :: Microsoft :: Windows
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Classifier: Programming Language :: Python :: 3.9
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Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: C
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
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[Description omitted; length: 9479 characters]

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MDAnalysis