adding gasteiger charges to peptide
sx:14  sy:9  sz:10  
cx:19.172  cy:9.756  cz:-2.094  
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=Chenzhangren@ncu.edu.cn&time=20250626012949&rec=ELAVL1-AF-Q15717-F1-model_v4.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-06-26 18:04:37 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/Chenzhangren@ncu.edu.cn/bd-screen/20250626013029/screen ../lib/pdbqt/fdaapp_new 100 null none 4.441 -2.888 6.100 8 10 8 ELAVL1-AF-Q15717-F1-model_v4.pdb Chenzhangren@ncu.edu.cn 1> ../dock_file/Chenzhangren@ncu.edu.cn/bd-screen/20250626013029/screen/log.txt 2>../dock_file/Chenzhangren@ncu.edu.cn/bd-screen/20250626013029/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Chenzhangren@ncu.edu.cn/bd-screen/20250626012949/screen ELAVL1-AF-Q15717-F1-model_v4.pdb Chenzhangren@ncu.edu.cn TCMML2025-06-26 01:21:41
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update status in workRecord success
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