ledock

Here are 3 public repositories matching this topic...

AngelRuizMoreno / Jupyter_Dock

Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

cheminformatics protein-structure jupyter-notebook computational-biology protein drug-discovery drug-repurposing rdkit openbabel drug-design mdanalysis autodock ledock molecular-docking autodock-vina py3dmol

Updated Oct 30, 2023
Jupyter Notebook

MengwuXiao / GetBox-PyMOL-Plugin

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A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.

pymol-plugin box docking autodock vina ledock

Updated Jun 6, 2019
Python

dulaanr97 / dok2any

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Dok2any is a small Python package designed to convert dok files generated by LeDock molecular docking software, a non-standard chemical structure file format unique for LeDock, to various other chemical structure formats using Openbabel.

python openbabel molecular-modeling ledock molecular-docking molecular-docking-scripts

Updated Jul 19, 2024
Python

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