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A Python library to crack crystals

Project description

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.

Project details


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Files for Soprano, version 0.8.6
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Filename, size Soprano-0.8.6-py2.py3-none-any.whl (188.6 kB) File type Wheel Python version py2.py3 Upload date Hashes View hashes
Filename, size Soprano-0.8.6.tar.gz (129.6 kB) File type Source Python version None Upload date Hashes View hashes

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