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.
To use this resource go to the resource landing page.
This resource is part of the Collaborative Computational Project for NMR Crystallography (CCP-NC) resource theme.
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Citation
Please cite: John Kane Shenton and Simone Sturniolo, Soprano, https://resources.psdi.ac.uk/tool/51c04def-007c-4536-8441-015aa097b30c (v0.9.2, accessed CURRENT_DATE).