adding gasteiger charges to peptide
sx:6  sy:7  sz:9  
cx:142.590  cy:162.204  cz:176.262  
start thread 0<br>
start thread 1<br>
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one step finished!start thread 0<br>
../lib/pdbqt/pdbqt7kb_filterFDA-experimental<a href="screenresult_blinddock.php?user=xiangcong@zju.edu.cn&time=20250623105424&rec=CRLF1.pdb&lib=FDA-experimental" target="_blank" class="alert-link text-primary"> View result</a>2025-06-23 14:24:34 79
('\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/xiangcong@zju.edu.cn/bd-screen/20250623105747/screen ../lib/pdbqt/fdaapp_new 100 null none 142.590 162.204 176.262 6 7 9 CRLF1.pdb xiangcong@zju.edu.cn 1> ../dock_file/xiangcong@zju.edu.cn/bd-screen/20250623105747/screen/log.txt 2>../dock_file/xiangcong@zju.edu.cn/bd-screen/20250623105747/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/xiangcong@zju.edu.cn/bd-screen/20250623105424/screen CRLF1.pdb xiangcong@zju.edu.cn FDA-experimental2025-06-20 15:20:49
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2025-06-23 10:57:47
2025-06-23 10:54:24

2025-06-23 10:54:24
update status in workRecord success
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