adding gasteiger charges to peptide
sx:13  sy:10  sz:8  
cx:1.942  cy:-5.687  cz:13.213  
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start thread 1<br>
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one step finished!start thread 0<br>
start thread 1<br>
../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=rtjong@uw.edu&time=20260311140934&rec=test_c1029_unrelaxed_rank_001_alphafold2_ptm_model_5_seed_000.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-03-12 08:05:25 10
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/rtjong@uw.edu/bd-screen/20260311140934/screen test_c1029_unrelaxed_rank_001_alphafold2_ptm_model_5_seed_000.pdb rtjong@uw.edu FDA-approved2026-03-06 23:25:48
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2026-03-11 14:09:34
update status in workRecord success
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