adding gasteiger charges to peptide
sx:24.053 sy:29.441 sz:31.270
cx:8.745 cy:12.085 cz:-16.332
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one step finished!start thread 0
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../lib/pdbqt/fdaapp_newFDA-approved View result2026-04-04 12:29:39 16
('\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/ic528@georgetown.edu/bd-screen/20260403134154/screen ../lib/pdbqt/fdaapp_new 100 null none -0.475 -10.905 24.901 16 18 21 8FP5_Full_Apo_Clean.pdb ic528@georgetown.edu 1> ../dock_file/ic528@georgetown.edu/bd-screen/20260403134154/screen/log.txt 2>../dock_file/ic528@georgetown.edu/bd-screen/20260403134154/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/amitiitg2011@gmail.com/bd-screen/20260403210054/screen E5chai.pdb amitiitg2011@gmail.com FDA-approved2026-02-05 12:02:16
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update status in workRecord success
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