Three input files are required
1. The protein input file (in .pdb format)
2. The ligand’s poses file (in .sdf format) and
3. The site of metabolism (SOM) file (in .txt format), named as SOM.txt (case-sensitive)
Things a user needs to keep in mind before using this tool
1.The downloaded tool and the three input files (above mentioned) must be in the same folder
2.This tool has the maximum limits of 500 ligands, and 50 poses for each ligand to be incorporated in input files
For more details, tutorial can be downloaded by the below link
1. The protein input file (in .pdb format)
2. The ligand’s poses file (in .sdf format) and
3. The site of metabolism (SOM) file (in .txt format), named as SOM.txt (case-sensitive)
Things a user needs to keep in mind before using this tool
1.The downloaded tool and the three input files (above mentioned) must be in the same folder
2.This tool has the maximum limits of 500 ligands, and 50 poses for each ligand to be incorporated in input files
For more details, tutorial can be downloaded by the below link
