A Python library to crack crystals
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.
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|Soprano-0.8.1-py2.py3-none-any.whl (174.1 kB) Copy SHA256 hash SHA256||Wheel||py2.py3|
|Soprano-0.8.1.tar.gz (122.8 kB) Copy SHA256 hash SHA256||Source||None|