adding gasteiger charges to peptide
sx:30  sy:26  sz:18  
cx:18.560  cy:-23.067  cz:12.681  
start thread 0<br>
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=cowboycoxx@163.com&time=20260228135846&rec=6S76.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-03-01 02:27:15 9
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/cowboycoxx@163.com/bd-screen/20260228135846/screen 6S76.pdb cowboycoxx@163.com FDA-approved2026-02-28 13:58:46
2026-02-28 13:58:46

2026-02-28 13:58:46
update status in workRecord success
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