adding gasteiger charges to peptide
sx:30  sy:15  sz:24  
cx:144.133  cy:143.546  cz:165.007  
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one step finished!start thread 0<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=1279638295@qq.com&time=20250627205847&rec=8H8J.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-06-30 07:06:31 95
('\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/1344210408@qq.com/bd-screen/20250628021723/screen ../lib/pdbqt/fdaapp_new 100 null none 5.365 -14.074 -3.634 30 17 30 AF-Q13443-F1-model_v4.pdb 1344210408@qq.com 1> ../dock_file/1344210408@qq.com/bd-screen/20250628021723/screen/log.txt 2>../dock_file/1344210408@qq.com/bd-screen/20250628021723/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/1279638295@qq.com/bd-screen/20250627205847/screen 8H8J.pdb 1279638295@qq.com TCMML2025-06-27 20:58:47
2025-06-27 20:58:47

2025-06-27 20:58:47
update status in workRecord success
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