buildcage

Python script to build cage optimimized by OPLS-AA

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install buildcage

Releases

Version Released Buster
Python 3.7
Bullseye
Python 3.9
Bookworm
Python 3.11
Files
0.0.5 2020-12-10    
0.0.4 2020-10-16    
0.0.3 2020-09-07    
0.0.2 2020-08-15    
0.0.1 2020-08-12    

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Page last updated 2023-10-28 04:49:01 UTC