Chemistry External Tool Node Use-cases

The Chemistry external tool nodes can be used to parse a log file with basic shell commands, run Shrodinger utilities or backends with specific options. Quick form nodes can be used to create a configuration panel for this node.

[Requires: Maestro, Phase, MacroModel]

- 1rst branch: Run a simple Schrodinger utility
- 2nd branch: Run shell commands
- 3rd branch: Run a Schrodinger product through the command line
- 4th branch: Run a Schrodinger product and control some parameters with a metanode configuration panel
- 5th branch: Run a Schrodinger product and change the parameters by editing the command file

See also:
- Semiempirical NDDO: pass parameter flow variables to the Chemistry external tool node.
- Molecular mechanics - comparison