RINRUS usage instructions

Before running RINRUS, you must process the structure and define the seed:

• System prep instructions.

The best way to use RINRUS is with the driver:

• Driver instructions

The steps of the RINRUS model building procedure can also be run individually:

1. RIN analysis/active site selection
2. Model trimming and capping
3. QM input file generation

RINRUS also contains tools for handling some outputs of QM computations:

• FSAPT analysis
• Converting optimized structures to PDB format