| Automatic calculation of docking given a ligand and a protein
Install this repository and then import the workflow into Galaxy, which you can download from here: http://mango.ac.uma.es/compartir/plidflow/Galaxy-Workflow-PLIDFlow_for_Protein_Docking.ga |
hg clone https://toolshed.g2.bx.psu.edu/repos/bitlab/plidflow
| Name | Description | Version | Minimum Galaxy Version |
|---|---|---|---|
| Open Babel converts chemical structures from one file format to another. Use Open Babel to convert SMI files to SDF files | 1.0.0 | 16.01 | |
| Separates chains from a PDB into multiple files | 1.0.0 | 16.01 | |
| Standardize a SMILE chain using the PubChem service | 1.0.0 | 16.01 | |
| is a tool to select optimal Vina mode 1 energy. | 1.0.0 | 16.01 | |
| Plot an SMI chain using the Rdkit package | 1.0.0 | 16.01 | |
| is a tool to customize the box size for individual query ligands in order to maximize the accuracy of molecular docking. | 1.0.0 | 16.01 | |
| Open Babel converts chemical structures from one file format to another. Use Open Babel to convert SDF files to PDF files | 1.0.0 | 16.01 | |
| Open Babel converts chemical structures from one file format to another. Use Open Babel to convert to the dative bond form | 1.0.0 | 16.01 | |
| AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure | 1.0.0 | 16.01 | |
| is an open-source program for doing molecular docking. | 1.0.0 | 16.01 | |
| Converts a pdb to pqr | 1.0.0 | 16.01 | |
| AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. | 1.0.0 | 16.01 | |