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https://github.com/becksteinlab/gromacswrapper.analysis

Legacy code from GromacsWrapper: gromacs.analysis module

https://github.com/becksteinlab/gromacswrapper.analysis

Science Score: 23.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ○
    CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ○
    .zenodo.json file
  • ○
    DOI references
  • ✓
    Academic publication links
    Links to: acs.org
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (6.9%) to scientific vocabulary

Keywords

gromacswrapper python science
Last synced: 6 months ago · JSON representation

Repository

Legacy code from GromacsWrapper: gromacs.analysis module

Basic Info
  • Host: GitHub
  • Owner: Becksteinlab
  • License: gpl-3.0
  • Language: Python
  • Default Branch: master
  • Size: 345 KB
Statistics
  • Stars: 0
  • Watchers: 3
  • Forks: 0
  • Open Issues: 2
  • Releases: 0
Topics
gromacswrapper python science
Created almost 9 years ago · Last pushed almost 9 years ago
Metadata Files
Readme License Authors

README.rst 

=================================
 GromacsWrapper gromacs.analysis
=================================

The ``gromacs.analysis`` package contains **legacy code** from
GromacsWrapper_. It consists of an experimental plugin architecture
to perform various analysis functions using the Gromacs_
tools. However, this approached turned out to be overly complicated
and hard to maintain. Since GromacsWrapper release 0.7.0 it is *not*
included in GromacsWrapper anymore and at the moment it is **not
maintained**.

This repository does not contain a fully installable Python package,
only the code (and old docs) in case anyone wants to use it or
maintain it. All code is made available under the GNU General Public
License, version 3 (or any higher version), see file COPYING for the
full text of the license.

For more background see Issue `GromacsWrapper/82`_.

.. _GromacsWrapper: https://github.com/Becksteinlab/GromacsWrapper/
.. _Gromacs: https://www.gromacs.org
.. _`GromacsWrapper/82`: https://github.com/Becksteinlab/GromacsWrapper/issues/82

Owner

  • Name: Becksteinlab
  • Login: Becksteinlab
  • Kind: organization
  • Email: obeckste@asu.edu
  • Location: Tempe, AZ

Computational Biophysics at Arizona State University

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