adding gasteiger charges to peptide
sx:11  sy:11  sz:14  
cx:8.552  cy:-4.243  cz:-11.773  
start thread 0<br>
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one step finished!start thread 0<br>
start thread 1<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=Guest&time=20260514121457&rec=Lcn2_3S26-2.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2026-05-14 16:46:57 12
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20260514121457/screen Lcn2_3S26-2.pdb zhoult@hbuas.edu.cn TCMML2026-04-14 13:14:49
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update status in workRecord success
邮件发送成功