ledock

There are 0 repository under ledock 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.
molecular-docking autodock autodock-vina ledock mdanalysis rdkit openbabel cheminformatics computational-biology jupyter-notebook py3dmol protein protein-structure drug-discovery drug-repurposing drug-design
Language:Jupyter Notebook 271
MengwuXiao / GetBox-PyMOL-Plugin
A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.
ledock autodock vina docking box pymol-plugin
Language:Python 91
dulaanr97 / dok2any
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.
ledock molecular-docking molecular-docking-scripts molecular-modeling openbabel python
Language:Python 1

AngelRuizMoreno / Jupyter_Dock