adding gasteiger charges to peptide
sx:12  sy:16  sz:13  
cx:-11.903  cy:22.278  cz:-17.427  
start thread 0<br>
start thread 1<br>
start thread 2<br>
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one step finished!start thread 0<br>
start thread 1<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=Xin.Liu@du.edu&time=20260405222931&rec=TIMP3.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2026-04-06 14:44:05 13
('\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/20260406143511/screen ../lib/pdbqt/fdaapp_new 100 null none 25.176 106.238 2.911 22 17 14 8P7A.pdb HMH813@yuhs.ac 1> ../dock_file/Guest/bd-screen/20260406143511/screen/log.txt 2>../dock_file/Guest/bd-screen/20260406143511/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Xin.Liu@du.edu/bd-screen/20260405222931/screen TIMP3.pdb Xin.Liu@du.edu TCMML2026-04-05 22:29:31
2026-04-05 22:29:31

2026-04-05 22:29:31
update status in workRecord success
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