mgltools

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SidSin0809 / ligand_pdb2pdbqt

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 Sep 3, 2025
Batchfile

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mgltools

Here is 1 public repository matching this topic...

SidSin0809 / ligand_pdb2pdbqt

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