Before using this Tool the user is expected to have performed molecular docking from any of the
available docking software and the .exe file of this tool has been downloaded.
INPUT FILES
1. Receptor Input File (.pdb file)
The receptor .pdb file is utilized as a protein input file. The input files must be present in the same folder
where the .exe file is kept.
2. Ligand Input File (.sdf file)
The ligand .sdf file generated after molecular docking has to be submitted as input.
DISTANCE CONSTRAINT
The user will be asked to enter the distance constraint value within which they would like to list the
active site residues.
(The range of 3-10 angstroms is where most ligand interactions take place)
OUTPUT FILE
The readable Excel Sheet Format (.csv) file will be saved in the same destination folder where the input
files and .exe file is located.
A Tool for analysis of the active site residues in protein-ligand interactions