adding gasteiger charges to peptide
sx:9  sy:11  sz:13  
cx:-5.766  cy:7.299  cz:72.854  
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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=20250509145042&rec=4yay_protein.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-05-10 17:11:52 75
('\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/Guest/bd-screen/20250509152042/screen ../lib/pdbqt/pdbqt7kb_filter 100 null none 20.008 159.708 27.252 20 27 30 8td7.pdb 1658083896@qq.com 1> ../dock_file/Guest/bd-screen/20250509152042/screen/log.txt 2>../dock_file/Guest/bd-screen/20250509152042/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250509145042/screen 4yay_protein.pdb huang.cfh@gmail.com FDA-approved2025-04-10 16:56:54
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update status in workRecord success
邮件发送成功