GoForth |
|
Jeremy Yang |
************************************************************ | goforth - evolve and multiply SMILES populations with | | reaction transforms. | ************************************************************ | | | goforth [opts] smirksfile.dat < in.smi | | | | opts: | | -db <dbspec> ... Thor db to create | | -dbsize <npri> ... Size of db to create | | -nmax <N> ... Maximum population to achieve | | -genmax <I> ... Maximum number of generations | | -sample <J> ... Select only every jth hit | | -nofitness ... Ignore fitness considerations | | -badsmarts <file> ... Reject matches with SMARTS | | -help ... this help | | | ************************************************************ | Daylight CIS, Inc. | | Toolkit (DayPerl) Contributed Program | ************************************************************