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(C) 2017 OpenEye Scientific Software Inc. All rights reserved. TERMS FOR USE OF SAMPLE CODE The software below ("Sample Code") is provided to current licensees or subscribers of OpenEye products or SaaS offerings (each a "Customer"). Customer is hereby permitted to use, copy, and modify the Sample Code, subject to these terms. OpenEye claims no rights to Customer's modifications. Modification of Sample Code is at Customer's sole and exclusive risk. Sample Code may require Customer to have a then current license or subscription to the applicable OpenEye offering. THE SAMPLE CODE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED. OPENEYE DISCLAIMS ALL WARRANTIES, INCLUDING, BUT NOT LIMITED TO, WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. In no event shall OpenEye be liable for any damages or liability in connection with the Sample Code or its use.
The OpenEye toolkits provide access to the functionality implemented by the InChI library. The OpenEye toolkits are considered a “work that uses the InChI library” and the InChI library is included with no modifications from the distribution available from the InChI Trust website. One can download the complete InChI source from the InChI Trust website or optionally, OpenEye will provide, for the cost of performing the distribution, a copy of the source code for the InChI library.
The InChI library is covered by the InChI license, version 1.0.
International Chemical Identifier (InChI) Version 1 Software version 1.05 January 27, 2017 The InChI library and programs are free software developed under the auspices of the International Union of Pure and Applied Chemistry (IUPAC). Originally developed at NIST. Modifications and additions by IUPAC and the InChI Trust. Some portions of code were developed/changed by external contributors (either contractor or volunteer) which are listed in the file 'External-contributors' included in this distribution. IUPAC/InChI-Trust Licence No.1.0 for the International Chemical Identifier (InChI) Copyright (C) IUPAC and InChI Trust Limited This library is free software; you can redistribute it and/or modify it under the terms of the IUPAC/InChI Trust InChI Licence No.1.0, or any later version. Please note that this library is distributed WITHOUT ANY WARRANTIES whatsoever, whether expressed or implied. See the IUPAC/InChI-Trust InChI Licence No.1.0 for more details. You should have received a copy of the IUPAC/InChI Trust InChI Licence No. 1.0 with this library; if not, please write to: The InChI Trust 8 Cavendish Avenue Cambridge CB1 7US UK or e-mail to firstname.lastname@example.org
The OpenEye toolkits provides access to Ramachandran analysis implemented by the Computational Crystallography Toolbox (CCTBX) with data from MolProbity. The Ramachandran data is included with no modifications from the distribution available from github.
The Ramachandran data was initially derived in [Lovell-2003] and updated with the comprehensive data curation done by [Hintze-2016]. The Computational Crystallography Toolbox has been described in [Grosse-Kunstleve-2002].
CCTBX Source Code <https://github.com/cctbx/cctbx_project>
The the parts of the CCTBX library is covered by the CCTBX license, version 2.0.
cctbx Copyright (c) 2006, The Regents of the University of California, through Lawrence Berkeley National Laboratory (subject to receipt of any required approvals from the U.S. Dept. of Energy). 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. (3) Neither the name of the University of California, Lawrence Berkeley National Laboratory, U.S. Dept. of Energy 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 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. You are under no obligation whatsoever to provide any bug fixes, patches, or upgrades to the features, functionality or performance of the source code ("Enhancements") to anyone; however, if you choose to make your Enhancements available either publicly, or directly to Lawrence Berkeley National Laboratory, without imposing a separate written license agreement for such Enhancements, then you hereby grant the following license: a non-exclusive, royalty-free perpetual license to install, use, modify, prepare derivative works, incorporate into other computer software, distribute, and sublicense such enhancements or derivative works thereof, in binary and source code form.
To cite any OpenEye toolkits please use the following:
OpenEye Toolkits 2018.Oct.1 OpenEye Scientific Software, Santa Fe, NM. http://www.eyesopen.com.
To cite an individual toolkit please use the following:
<toolkit name> 2018.Oct.1 OpenEye Scientific Software, Santa Fe, NM. http://www.eyesopen.com.
where <toolkit name> is: