adding gasteiger charges to peptide
sx:10  sy:11  sz:10  
cx:-6.279  cy:-2.257  cz:-10.616  
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one step finished!start thread 0<br>
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=rtjong@uw.edu&time=20260310194749&rec=test_dc4e5_unrelaxed_rank_003_alphafold2_ptm_model_2_seed_000.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-03-11 14:14:21 11
('\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/Guest/bd-screen/20260310204003/screen ../lib/pdbqt/fdaapp_new 100 null none -11.882 44.144 -16.203 15 9 12 HIV_integrase.pdb sydneylam7@yahoo.com 1> ../dock_file/Guest/bd-screen/20260310204003/screen/log.txt 2>../dock_file/Guest/bd-screen/20260310204003/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/rtjong@uw.edu/bd-screen/20260310194749/screen test_dc4e5_unrelaxed_rank_003_alphafold2_ptm_model_2_seed_000.pdb rtjong@uw.edu FDA-approved2026-03-06 23:25:48
2026-03-10 19:47:49
2026-03-10 19:45:44
2026-03-10 19:47:49
2026-03-10 19:47:49
2026-03-10 19:47:49

2026-03-10 19:47:49
update status in workRecord success
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