https://github.com/andrewtarzia/cage_collect

scripts to collect and analyze cages from CSD
https://github.com/andrewtarzia/cage_collect

Last synced: about 1 month ago
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scripts to collect and analyze cages from CSD

• Host: GitHub
• URL: https://github.com/andrewtarzia/cage_collect
• Owner: andrewtarzia
• License: mit
• Created: 2019-06-07T19:34:58.000Z (over 5 years ago)
• Default Branch: master
• Last Pushed: 2022-11-25T17:59:42.000Z (about 2 years ago)
• Last Synced: 2024-10-12T11:47:22.704Z (2 months ago)
• Language: Python
• Size: 1.03 MB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.MD
  • License: LICENSE

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README

        
# cage_collect

Code for collecting and analysing structures from the CSD, using the Cambridge Structure Database API.

# Two CSD APIs:

* CSD_API/: Python 2 API

* CSD_API_python3/: Python 3.7 API (CSD2020 required!)

* pore_topologies/: Python 3.7 code to assign and analyse porosity properties of molecules in crystal structures using pyWINDOW