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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

The latest version of scoria can be found on the Durrant gitlab under https://git.durrantlab.com/jdurrant/scoria

Documentation

Thorough documenation for the scoria library can be found at https://where.are.we.putting.this.com/scoria_documenation

Installation

The scoria libarary can be installed via pip as

sudo pip install path/to/file/scoria

Scoria requires Numpy, Scipy and can utilize the MDAnalysis library for additional import methods. These dependancies should be automatically installed alongside the package.

Issues and Concerns

If you have any implementation questions or have located a bug in the library, please raise an issue the gitlab page for this project https://git.durrantlab.com/jdurrant/pymolecule2/issues

Licensing

Please see the file called LICENSING

Authors and Contacts

This library was produced by Jacob Durrant (pitt email or gmail?) with the assistance of Patrick Ropp and Aaron Friedman.