Examines ligand interactions with predicted protein structures
-
Updated
Apr 23, 2022 - Jupyter Notebook
#
open-babel
Here are 2 public repositories matching this topic...
Automated Windows pipeline that protonates ligand PDB files at pH 7.4 and converts them in bulk to AutoDock-ready PDBQT format using Open Babel 3 + MGLTools
pipeline cheminformatics windows-batch molecular-docking autodock-vina pdbqt open-babel ligand-preparation mgltools
-
Updated
May 25, 2025 - Batchfile
Improve this page
Add a description, image, and links to the open-babel topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the open-babel topic, visit your repo's landing page and select "manage topics."