acpype.acs_api.acpype_api

acpype.acs_api.acpype_api(inputFile, chargeType='bcc', chargeVal=None, multiplicity='1', atomType='gaff2', force=False, basename=None, debug=False, outTopol='all', engine='tleap', allhdg=False, timeTol=10800, qprog='sqm', ekFlag=None, verbose=True, gmx4=False, merge=False, direct=False, is_sorted=False, chiral=False, is_smiles=False)