Metadata-Version: 2.1
Name: chython
Version: 1.48.1
Summary: UNKNOWN
Home-page: https://github.com/chython/chython
Author: Dr. Ramil Nugmanov
Author-email: nougmanoff@protonmail.com
License: LGPLv3
Description: Chython [ˈkʌɪθ(ə)n]
        ===================
        
        Library for processing molecules and reactions in python way.
        
        Features:
           - Read/write/convert formats: MDL .RDF (.RXN) and .SDF (.MOL), .MRV, SMILES, INCHI (inchi-trust library), .XYZ, .PDB
           - Standardize molecules and reactions and valid structures checker
           - Supported python-magic
           - Tetrahedron, Allene and CIS-TRANS stereo supported
           - Perform subgraph search
           - Build/edit molecules and reactions with Python API
           - Produce template based reactions and molecules
           - Atom-to-atom mapping, checking and rule-based fixing
           - Perform MCS search
           - 2d coordinates generation (based on `SmilesDrawer <https://github.com/reymond-group/smilesDrawer>`_)
           - 2d/3d depiction with Jupyter support
           - SMARTS parser with restrictions
        
        Full documentation can be found `here <https://chython.readthedocs.io>`_.
        
        Chython is fork of `CGRtools <https://github.com/stsouko/CGRtools>`_.
        
        Install
        =======
        
        Only python 3.8+.
        
        Note: for using `clean2d` install NodeJS into system.
        
        * **stable version available through PyPI**::
        
            pip install chython
        
        * Install chython library DEV version for features that are not well tested::
        
            pip install -U git+https://github.com/chython/chython.git@master#egg=chython
        
        Copyright
        =========
        
        * 2014-2022 Ramil Nugmanov nougmanoff@protonmail.com main developer
        
        Contributors
        ============
        
        * Adelia Fatykhova adelik21979@gmail.com
        * Aleksandr Sizov murkyrussian@gmail.com
        * Dinar Batyrshin batyrshin-dinar@mail.ru
        * Dmitrij Zanadvornykh zandmitrij@gmail.com
        * Ravil Mukhametgaleev sonic-mc@mail.ru
        * Tagir Akhmetshin tagirshin@gmail.com
        * Timur Gimadiev timur.gimadiev@gmail.com
        * Zarina Ibragimova
        
Platform: UNKNOWN
Classifier: Environment :: Plugins
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU Lesser General Public License v3 or later (LGPLv3+)
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.8
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Classifier: Topic :: Software Development
Classifier: Topic :: Software Development :: Libraries
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.8
Provides-Extra: pytest
Provides-Extra: mapping
