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” |