adding gasteiger charges to peptide
sx:7  sy:6  sz:6  
cx:-76.572  cy:16.872  cz:-33.560  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=15515670082@163.com&time=20250422133236&rec=5eli.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-04-27 10:49:47 90
('\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/15515670082@163.com/bd-screen/20250422152036/screen ../lib/pdbqt/TCMML_pdbqt 100 null none -63.424 13.171 -19.700 7 15 14 5eli.pdb 15515670082@163.com 1> ../dock_file/15515670082@163.com/bd-screen/20250422152036/screen/log.txt 2>../dock_file/15515670082@163.com/bd-screen/20250422152036/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/15515670082@163.com/bd-screen/20250422133236/screen 5eli.pdb 15515670082@163.com TCMML2025-04-21 21:57:24
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update status in workRecord success
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