adding gasteiger charges to peptide
sx:24  sy:22  sz:28  
cx:146.763  cy:119.704  cz:180.385  
start thread 0<br>
start thread 1<br>
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one step finished!start thread 0<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=Guest&time=20250723161401&rec=9K9T.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-07-25 08:27:17 22
('\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/20250723162109/screen ../lib/pdbqt/TCMML_pdbqt 100 null none 98.703 134.359 119.208 22 24 13 9K9T.pdb zhangkl.duncan2024@gdhfi.com 1> ../dock_file/Guest/bd-screen/20250723162109/screen/log.txt 2>../dock_file/Guest/bd-screen/20250723162109/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250723161401/screen 9K9T.pdb zhangkl.duncan2024@gdhfi.com TCMML2025-06-25 11:29:45
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update status in workRecord success
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