GoForth |
|
Jeremy Yang |
goforth.pl -db foo6fit -dbsize 100000\ -genmax 30 -nmax 200000 \ -badsmarts reject.sma \ grow.smk < six.smi
Tue Oct 5 20:22:31 MDT 1999 NOTE (goforth.pl): 10 valid SMIRKS read... Reading SMILES from stdin... Initial population size: 6. NOTE (goforth.pl): 3 valid SMARTS read... Created "foo6fit_datatypes"... Created "foo6fit"... Datatypes db set to "foo6fit_datatypes" ... Allocating CLOGP program object: Tue Oct 5 20:22:32 MDT 1999 Transforming into I=1 generation... ********* 1 *************** 05 Oct 1999 ****** ** GENERATION ( 1): TOTALS: ** Products: 373 373 ** Fit products: 320 320 ** Products selected: 51 51 ** Unique SMILES found: 57 ************************************************* Tue Oct 5 20:22:36 MDT 1999 Transforming into I=2 generation... ********* 2 *************** 05 Oct 1999 ****** ** GENERATION ( 2): TOTALS: ** Products: 3323 3696 ** Fit products: 2885 3205 ** Products selected: 394 445 ** Unique SMILES found: 451 ************************************************* Tue Oct 5 20:23:19 MDT 1999 Transforming into I=3 generation... ********* 3 *************** 05 Oct 1999 ****** ** GENERATION ( 3): TOTALS: ** Products: 24016 27712 ** Fit products: 20604 23809 ** Products selected: 2134 2579 ** Unique SMILES found: 2585 ************************************************* Tue Oct 5 20:29:13 MDT 1999 Transforming into I=4 generation... ********* 4 *************** 05 Oct 1999 ****** ** GENERATION ( 4): TOTALS: ** Products: 112755 140467 ** Fit products: 95154 118963 ** Products selected: 8427 11006 ** Unique SMILES found: 11012 ************************************************* Tue Oct 5 20:58:54 MDT 1999 Transforming into I=5 generation... ********* 5 *************** 05 Oct 1999 ****** ** GENERATION ( 5): TOTALS: ** Products: 375915 516382 ** Fit products: 302724 421687 ** Products selected: 22888 33894 ** Unique SMILES found: 33900 ************************************************* Tue Oct 5 22:41:33 MDT 1999 Transforming into I=6 generation... ********* 6 *************** 05 Oct 1999 ****** ** GENERATION ( 6): TOTALS: ** Products: 849491 1365873 ** Fit products: 617516 1039203 ** Products selected: 39610 73504 ** Unique SMILES found: 73510 ************************************************* Wed Oct 6 02:29:32 MDT 1999 Transforming into I=7 generation... ********* 7 *************** 05 Oct 1999 ****** ** GENERATION ( 7): TOTALS: ** Products: 1157232 2523105 ** Fit products: 716189 1755392 ** Products selected: 39221 112725 ** Unique SMILES found: 112731 ************************************************* Wed Oct 6 07:18:53 MDT 1999 Transforming into I=8 generation... ********* 8 *************** 05 Oct 1999 ****** ** GENERATION ( 8): TOTALS: ** Products: 845002 3368107 ** Fit products: 428541 2183933 ** Products selected: 20204 132929 ** Unique SMILES found: 132935 ************************************************* Wed Oct 6 10:29:26 MDT 1999 Transforming into I=9 generation... ********* 9 *************** 05 Oct 1999 ****** ** GENERATION ( 9): TOTALS: ** Products: 306465 3674572 ** Fit products: 131228 2315161 ** Products selected: 5485 138414 ** Unique SMILES found: 138420 ************************************************* Wed Oct 6 11:34:47 MDT 1999 Transforming into I=10 generation... ********* 10 *************** 05 Oct 1999 ****** ** GENERATION (10): TOTALS: ** Products: 57900 3732472 ** Fit products: 20933 2336094 ** Products selected: 779 139193 ** Unique SMILES found: 139199 ************************************************* Wed Oct 6 11:48:41 MDT 1999 Transforming into I=11 generation... ********* 11 *************** 05 Oct 1999 ****** ** GENERATION (11): TOTALS: ** Products: 5713 3738185 ** Fit products: 1350 2337444 ** Products selected: 38 139231 ** Unique SMILES found: 139237 ************************************************* Wed Oct 6 11:52:20 MDT 1999 Transforming into I=12 generation... ********* 12 *************** 05 Oct 1999 ****** ** GENERATION (12): TOTALS: ** Products: 163 3738348 ** Fit products: 27 2337471 ** Products selected: 0 139231 ** Unique SMILES found: 139237 ************************************************* goforth.pl exit condition: Population has converged 139237 ... Adios!