soprano
A Python library to crack crystals
A Python library to crack crystals
To install this package, run one of the following:
Soprano is a Python library developed and maintained by the CCP for NMR Crystallography as a tool to help scientists working with crystallography and simulations to generate, manipulate, run calculations on and analyse large data sets of crystal structures, with a particular attention to the output of ab-initio random structure searching, or AIRSS. (https://www.mtg.msm.cam.ac.uk/Codes/AIRSS)
It provides a number of functionalities to help automate many common tasks in computational crystallography.
Summary
A Python library to crack crystals
Last Updated
Nov 9, 2021 at 19:51
License
LGPL-3.0-only
Total Downloads
4.0K
Version Downloads
4.0K
Supported Platforms
GitHub Repository
https://github.com/CCP-NC/sopranoDocumentation
https://ccp-nc.github.io/soprano/sphinx/html/index.html