adding gasteiger charges to peptide
sx:18  sy:8  sz:9  
cx:8.797  cy:8.086  cz:-2.727  
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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=20260311002132&rec=test_dc4e5_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-03-11 22:37:21 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/20260311163816/screen ../lib/pdbqt/pdbqt7kb_filter 100 null none 25.176 106.238 2.911 22 17 14 8P7A.pdb HMH813@yuhs.ac 1> ../dock_file/Guest/bd-screen/20260311163816/screen/log.txt 2>../dock_file/Guest/bd-screen/20260311163816/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/rtjong@uw.edu/bd-screen/20260311002132/screen test_dc4e5_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb rtjong@uw.edu FDA-approved2026-03-06 23:25:48
2026-03-11 00:21:32
2026-03-10 19:45:44
2026-03-11 00:21:32
2026-03-10 19:47:49
2026-03-11 00:21:32
2026-03-11 00:21:32
2026-03-11 00:21:32

2026-03-11 00:21:32
update status in workRecord success
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