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Scoria is a Python package for manipulating three dimensional molecular data. Unlike similar packages, Scoria is written in pure Python and so requires no dependencies or installation. One can incorporate the Scoria source code directly into their own programs.

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durrantlab/scoria

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Scoria

What is it?

The scoria library is a lightweight python code base designed for importing, manipulating, and exporting molecular models.

The Latest Version

Visit https://git.durrantlab.com/jdurrant/scoria/tree/1.0.0 to download the latest version. The same version is mirrored on GitHub.

Visit http://durrantlab.com/scoria/ to:

  • read the documenation
  • suggest an improvement
  • point out a bug
  • ask a question about usage

For MDAnalysis support, download Scoria MDA instead: https://git.durrantlab.com/jdurrant/scoria/tree/1.0.0_mda.

Licensing

Scoria is released under the Apache 2.0 license. See LICENCE.txt for details.

Scoria MDA is derived from Scoria and includes MDAnalysis support. It is released under the GNU General Public License version 3.0.

Installation

The scoria libarary can be installed via pip as

# for python 2
pip install scoria

# for python 3
pip3 install scoria

Scoria runs best with NumPy and SciPy. Some versions can also use the MDAnalysis library for additional import methods. The first two dependancies should be automatically installed alongside the package.

Authors and Contacts

This library was produced by Jacob Durrant (durrantj@pitt.edu) with the assistance of Patrick Ropp and Aaron Friedman.

About

Scoria is a Python package for manipulating three dimensional molecular data. Unlike similar packages, Scoria is written in pure Python and so requires no dependencies or installation. One can incorporate the Scoria source code directly into their own programs.

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