adding gasteiger charges to peptide
sx:30  sy:21  sz:13  
cx:11.631  cy:18.442  cz:30.054  
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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=Guest&time=20250525110753&rec=3uqr_protein.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-05-25 14:00:04 68
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250525110753/screen 3uqr_protein.pdb syue0101@gmail.com FDA-approved2025-04-25 13:16:52
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update status in workRecord success
邮件发送成功