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Tools for importing, creating, editing and querying molecular geometries

Project description

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


To install the latest release from PyPI, use:

$ pip install gimbal

Alternatively, clone the repository and use to install via:

$ git clone
$ cd gimbal/
$ python install

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


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


For additional documentation, see the documentation page.


Ryan J. MacDonell

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