LigParGen

Python script to provide BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.

Installation

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

pip3 install ligpargen

Releases

Version Released Bullseye
Python 3.9
Bookworm
Python 3.11
Files
2.1 2018-03-08  
0.15 2018-01-26  
0.14 2017-11-29  
0.13 2017-09-28  
0.12 2017-09-28  
0.11 2017-09-21  

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Page last updated 2025-06-27 20:27:43 UTC