adding gasteiger charges to peptide
sx:7 sy:8 sz:12
cx:85.393 cy:105.005 cz:95.152
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one step finished!start thread 0
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../lib/pdbqt/fdaapp_newFDA-approved View result2026-04-04 23:07:29 20
('\xe5\xbc\x80\xe5\xa7\x8b\xe8\xbf\x90\xe8\xa1\x8c\xe5\x91\xbd\xe4\xbb\xa4\xef\xbc\x9a', 'perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/choudharymonika1302@gmail.com/bd-screen/20260404131454/screen ../lib/pdbqt/fdaapp_new 100 null none 85.393 105.005 95.152 7 8 12 clean_8A9L.pdb choudharymonika1302@gmail.com 1> ../dock_file/choudharymonika1302@gmail.com/bd-screen/20260404131454/screen/log.txt 2>../dock_file/choudharymonika1302@gmail.com/bd-screen/20260404131454/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/choudharymonika1302@gmail.com/bd-screen/20260404112627/screen clean_8A9L.pdb choudharymonika1302@gmail.com FDA-approved2026-04-04 00:20:53
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update status in workRecord success
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