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

Star

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

Star

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

Add this topic to your repo

To associate your repository with the ledock topic, visit your repo's landing page and select "manage topics."

Learn more