Soprano

Soprano is a Python library to help scientists working with crystallography and simulations to generate, manipulate, run calculations on and analyse large data sets of crystal structures. It provides a number of functionalities to help automate many common tasks in computational crystallography, including NMR parameter manipulation. Documentation and tutorials are provided to help users get started with the library.

This resource is part of the Collaborative Computational Project for NMR Crystallography (CCP-NC) resource theme.

How to Access

Resource landing page
soprano github repository

Further Information

Computational prediction of muon stopping sites using ab initio random structure searching

Soprano Github pages

Creators

John Kane Shenton & Simone Sturniolo

Publisher

PSDI

Access

Open Access

License

LGPL-3.0

Contact

http://github.com/CCP-NC/soprano/issues

Citation

Please cite: John Kane Shenton and Simone Sturniolo. Soprano. Online. Version 0.9.2. 26 October 2016. Available from: https://resources.psdi.ac.uk/tool/51c04def-007c-4536-8441-015aa097b30c. [accessed YYYY-MM-DD].