adding gasteiger charges to peptide
sx:12  sy:11  sz:11  
cx:-76.5  cy:16.8  cz:-33.5  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=15515670082@163.com&time=20250423231322&rec=5eli.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-04-29 07:53:25 96
('\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/sheynce@gmail.com/bd-screen/20250423202111/screen ../lib/pdbqt/fdaapp_new 100 null none 9.663 -5.586 -7.002 15 18 15 A0A8R1Y369.pdb sheynce@gmail.com 1> ../dock_file/sheynce@gmail.com/bd-screen/20250423202111/screen/log.txt 2>../dock_file/sheynce@gmail.com/bd-screen/20250423202111/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/15515670082@163.com/bd-screen/20250423231322/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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