adding gasteiger charges to peptide
sx:30  sy:30  sz:30  
cx:115.803  cy:98.909  cz:81.976  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=19907977835@163.com&time=20250314081843&rec=6l42.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-03-19 11:59:30 100
('\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/20250314092100/screen ../lib/pdbqt/TCMML_pdbqt 100 null none 123.005 96.025 113.839 23 30 20 6l42.pdb 19907977835@163.com 1> ../dock_file/Guest/bd-screen/20250314092100/screen/log.txt 2>../dock_file/Guest/bd-screen/20250314092100/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/19907977835@163.com/bd-screen/20250314081843/screen 6l42.pdb 19907977835@163.com TCMML2025-03-06 16:46:25
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update status in workRecord success
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