adding gasteiger charges to peptide
sx:24  sy:26  sz:25  
cx:332.462  cy:221.451  cz:201.587  
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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=3561937996@qq.com&time=20260522100945&rec=CDK1.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-05-22 13:50:32 12
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/3561937996@qq.com/bd-screen/20260522100945/screen CDK1.pdb 3561937996@qq.com FDA-approved2026-05-22 10:09:45
2026-05-22 10:09:45

2026-05-22 10:09:45
update status in workRecord success
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