Rowan MCP Server

from stjames import Molecule import rowan # rowan.api_key = "" result = rowan.submit_irc_workflow( initial_molecule=Molecule.from_xyz_lines( """7 SMILES `N=C([O-])[OH2+]` N -0.15519741 -1.36979175 -0.20679433 C 1.11565384 -1.23943631 -0.14797646 O 2.17614993 -1.72950370 -0.04017850 H -0.55869366 -2.29559315 -0.23834737 O 1.02571386 0.42871733 -0.27925360 H -0.09029954 -0.04166676 -0.31495768 H 1.26740151 0.88347299 0.53620841 """.splitlines() ), name="HNCO + H₂O - IRC", preopt=False, ) print(result)