Command line script

SyGMa: Systematically Generating potential Metabolites

usage: sygma [-h] [--version] [-o OUTPUTTYPE] [-1 PHASE1] [-2 PHASE2]
             [-l {debug,info,warn, error}]
             parentmol

Positional Arguments

parentmol

Smiles string of parent molecule structure

Named Arguments

--version	show program’s version number and exit
-o, --outputtype
	Molecule output type (default: sdf) Default: sdf
-1, --phase1	Number of phase 1 cycles (default: 1) Default: 1
-2, --phase2	Number of phase 2 cycles (default: 1) Default: 1
-l, --loglevel	Possible choices: debug, info, warn, error Set logging level (default: “info”) Default: “info”