Metadata-Version: 2.1
Name: vermouth
Version: 0.2.0
Summary: UNKNOWN
Home-page: https://github.com/marrink-lab/vermouth-martinize
Author: P C Kroon
Author-email: p.c.kroon@rug.nl
License: Apache 2.0
Description: # Martinize2 and vermouth: The ultimate resolution transformation tools
        
        [![Build Status](https://travis-ci.org/marrink-lab/vermouth-martinize.svg?branch=master)](https://travis-ci.org/marrink-lab/vermouth-martinize)
        [![codecov](https://codecov.io/gh/marrink-lab/vermouth-martinize/branch/master/graph/badge.svg)](https://codecov.io/gh/marrink-lab/vermouth-martinize)
        [![Documentation Status](https://readthedocs.org/projects/vermouth-martinize/badge/?version=latest)](https://vermouth-martinize.readthedocs.io/en/latest/?badge=latest)
        
        
        Martinize2 is a rewrite of [Martinize]. It is aimed at producing
        coarse-grained structures and topologies from an atomistic structure. Martinize
        is primarily developed for the [Martini] coarse-grained force field and the
        [Gromacs] simulation engine. However the architecture of the program will
        allow us to support a broader range of force fields and simulation engines in
        the future.
        
        Vermouth (for VERsatile, MOdular,  and Universal Tranformation Helper) is the
        python library that powers Martinize2. It allows to describe and apply
        transformation on molecular structures and topologies using graph algorithms.
        
        ## Disclaimer
        
        Martinize2 and Vermouth are under developpement. Bugs can occur. If you encounter an issue, please report it on <https://github.com/marrink-lab/vermouth-martinize/issues>. Carefully check your input and output files before
        using them; read the messages displayed by the program.
        
        ## Installation
        
        Martinize2 and vermouth require python 3.5 or greater. They can be installed
        using the `pip` command:
        
            pip install git+https://github.com/marrink-lab/vermouth-martinize.git#vermouth
        
        The behavior of the `pip` command can vary depending of the specificity of your
        python installation. See the [documentation on installing a python
        package][pipdoc] to learn more.
        
        ## Basic usage
        
        Installing Martinize2 and vermouth with `pip` adds the `martinize2` program to
        the research PATH. You can see the available option of the program by running:
        
            martinize2 -h
        
        At the moment, martinize2 tries to reproduce the interface of the original
        Martinize. You can find explanations on how to use Martinize on the [Martini
        tutorials]; in most cases, replacing calls to `martinize.py` by calls to
        `martinize2` should produce similar results.
        
        The documentation of the vermouth python library will come soon.
        
        ## License
        
        Martinize2 and vermouth are distributed under the Apache 2.0 license.
        
            Copyright 2018 University of Groningen
        
        	Licensed under the Apache License, Version 2.0 (the "License");
        	you may not use this file except in compliance with the License.
        	You may obtain a copy of the License at
        
        		http://www.apache.org/licenses/LICENSE-2.0
        
        	Unless required by applicable law or agreed to in writing, software
        	distributed under the License is distributed on an "AS IS" BASIS,
        	WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
        	See the License for the specific language governing permissions and
        	limitations under the License.
        
        The [full text of the license][license] is available in the source repository.
        
        ## Contributions
        
        The development of Martinize2 and vermouth is done on [github]. Contributions
        are welcome as [bug reports] and [pull requests]. Note however that the
        decision of whether or not contributions can give authorship on the resulting
        academic paper is left to our sole discretion.
        
        [Martinize]: https://github.com/Tsjerk/Martinize
        [Martini]: http://cgmartini.nl
        [Martini tutorials]: http://cgmartini.nl/index.php/tutorials-general-introduction-gmx5
        [Gromacs]: http://www.gromacs.org
        [pipdoc]: https://packaging.python.org/tutorials/installing-packages/#installing-packages
        [license]: https://github.com/marrink-lab/vermouth-martinize/blob/master/LICENSE
        [github]: https://github.com/marrink-lab/vermouth-martinize
        [bug reports]: https://github.com/marrink-lab/vermouth-martinize/issues
        [pull requests]: https://github.com/marrink-lab/vermouth-martinize/pulls
        
        
Keywords: martini MD martinize
Platform: UNKNOWN
Classifier: Development Status :: 5 - Production/Stable
Classifier: Environment :: Console
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Description-Content-Type: text/markdown; charset=UTF-8
Provides-Extra: full
