AutoDock Models for the StarDrop Pose Generation Interface (PGI)
From the manuscript “DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design”, Miguel García-Ortegón, Sergio Bacallado, et al¹ have developed…
It is possible to add custom models scripted in Python to StarDrop using the StarDrop model server.
From the StarDrop Scripting and Customisation Guide, Section 3.1 describes how you can add your custom models.
You can access the guides within StartDrop or download them from our documentation page. Please note that you’ll need credentials to access them from our website
This approach would require creating a wrapper to extend StarDrop’s model server. The API for this functionality and an example code is provided in Section 3.1.2. Some examples of Python models are in the /usr/local/StarDrop64/modelserver/examples/models directory on the model server.
From the manuscript “DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design”, Miguel García-Ortegón, Sergio Bacallado, et al¹ have developed…
This model calculates the “exact mass” of a molecule based upon the masses of the most abundant isotopes of its…
This script provides the ability to run Phenaris’ transporter models and return the results directly into StarDrop. To use this tool, you will need…