adding gasteiger charges to peptide
sx:13  sy:12  sz:15  
cx:5.740  cy:-6.312  cz:18.836  
start thread 0<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=Guest&time=20260522155150&rec=CHEK1move.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-05-22 21:43:20 12
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20260522155150/screen CHEK1move.pdb 3561937996@qq.com FDA-approved2026-04-22 22:39:33
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update status in workRecord success
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