Skip to main content

Tools for importing, creating, editing and querying molecular geometries

Project description

https://travis-ci.org/ryjmacdonell/gimbal.svg?branch=master https://readthedocs.org/projects/gimbal-editor/badge/?version=latest https://codecov.io/gh/ryjmacdonell/gimbal/branch/master/graph/badge.svg https://badge.fury.io/py/gimbal.svg

Gimbal is a package for importing, creating, editing and querying three-dimensional molecular geometries. It specializes in intramolecular transformations relevant to dynamical simulation.

Installation

To install the latest release from PyPI, use:

$ pip install gimbal

Alternatively, clone the repository and use setup.py to install via:

$ git clone https://github.com/ryjmacdonell/gimbal.git
$ cd gimbal/
$ python setup.py install

Installation will also add several executables from bin/ to your path for easily editing recognized file formats.

Requirements

Requires at least Python 3.4, NumPy v1.6.0, SciPy v0.9.0 and PyParsing v2.2.0

Documentation

For additional documentation, see the documentation page.

Author

Ryan J. MacDonell

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

gimbal-0.1.1.tar.gz (43.8 kB view hashes)

Uploaded source

Built Distribution

gimbal-0.1.1-py3-none-any.whl (39.5 kB view hashes)

Uploaded py3

Supported by

AWS AWS Cloud computing Datadog Datadog Monitoring Facebook / Instagram Facebook / Instagram PSF Sponsor Fastly Fastly CDN Google Google Object Storage and Download Analytics Huawei Huawei PSF Sponsor Microsoft Microsoft PSF Sponsor NVIDIA NVIDIA PSF Sponsor Pingdom Pingdom Monitoring Salesforce Salesforce PSF Sponsor Sentry Sentry Error logging StatusPage StatusPage Status page