adding gasteiger charges to peptide
sx:22  sy:28  sz:28  
cx:-8.344  cy:-16.276  cz:23.445  
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one step finished!start thread 0<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=Guest&time=20250712215324&rec=HSPA1_3jxu.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-07-13 04:31:19 5
('\xe5\xbc\x80\xe5\xa7\x8b\xe8\xbf\x90\xe8\xa1\x8c\xe5\x91\xbd\xe4\xbb\xa4\xef\xbc\x9a', 'perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/yangqiuyue0915@foxmail.com/bd-screen/20250712221809/screen ../lib/pdbqt/TCMML_pdbqt 100 null none 51.147 47.871 88.422 18 13 15 HSPA1-SDB_4po2.pdb yangqiuyue0915@foxmail.com 1> ../dock_file/yangqiuyue0915@foxmail.com/bd-screen/20250712221809/screen/log.txt 2>../dock_file/yangqiuyue0915@foxmail.com/bd-screen/20250712221809/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250712215324/screen HSPA1_3jxu.pdb yangqiuyue0915@foxmail.com TCMML2025-06-13 18:00:27
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update status in workRecord success
邮件发送成功