adding gasteiger charges to peptide
sx:26  sy:16  sz:14  
cx:-6.490  cy:10.397  cz:-4.004  
start thread 0<br>
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one step finished!start thread 0<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=2381788291@qq.com&time=20250723194254&rec=T1model3.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-07-25 16:40:00 23
('\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/20250723201420/screen ../lib/pdbqt/TCMML_pdbqt 100 null none 10.869 12.594 30.542 20 21 13 1nap.pdb 1141995944@qq.com 1> ../dock_file/Guest/bd-screen/20250723201420/screen/log.txt 2>../dock_file/Guest/bd-screen/20250723201420/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/2381788291@qq.com/bd-screen/20250723194254/screen T1model3.pdb 2381788291@qq.com TCMML2025-07-23 19:38:31
2025-07-23 19:42:54
2025-07-23 19:38:31
2025-07-23 19:42:54
2025-07-23 19:42:54
2025-07-23 19:42:54

2025-07-23 19:42:54
update status in workRecord success
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