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Description |
This workflow converts receptor pdb files into receptor pdbqt files using thepdb2pdbqt tool (from Autodock tools). The conversion is run on the NBCR opal server.Outputs are displayed in user default web browser and are downloaded into the directory listed under Path. |
Required Software |
Kepler 2.4 or above |
Overview |
None |
Usage |
There are two ways to run this workflow. One is through the graphic interface. After the workflow isopened, users can double-click the parameters to change their values and press the play button to start.Another way is to run Kepler via a command line. |
Parameters |
i the input pdb file of interest. Users must supply the paths to the pdb file and the receptor pdb file. o the name for the output pdbqt file. Path This is the directory where all outputs will be downloaded and stored. |