adding gasteiger charges to peptide
sx:13  sy:16  sz:15  
cx:-30.590  cy:51.182  cz:0.095  
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one step finished!start thread 0<br>
../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=sgao57@jh.edu&time=20250805103431&rec=3IHJ-P.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-08-05 15:55:05 2
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/sgao57@jh.edu/bd-screen/20250805103431/screen 3IHJ-P.pdb sgao57@jh.edu FDA-approved2025-08-05 10:34:31
2025-08-05 10:34:31

2025-08-05 10:34:31
update status in workRecord success
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