check_raspa2_environment
Verify RASPA2 installation and configuration by checking the simulate binary, RASPA_DIR, and force field/molecule files. Get a diagnostic report with setup instructions if issues are found.
Instructions
Check whether RASPA2 is correctly installed and configured on this server.
Verifies:
'simulate' binary is on PATH
RASPA_DIR environment variable is set and valid
Force field and molecule files exist under $RASPA_DIR
Returns a full diagnostic report. If ready=False, run: raspa-mcp-setup (compiles RASPA2 from source).
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||