adding gasteiger charges to peptide
sx:7  sy:11  sz:7  
cx:11.193  cy:-4.458  cz:4.980  
start thread 0<br>
start thread 1<br>
start thread 2<br>
start thread 3<br>
start thread 4<br>
start thread 5<br>
start thread 6<br>
start thread 7<br>
start thread 8<br>
start thread 9<br>
start thread 10<br>
start thread 11<br>
one step finished!start thread 0<br>
start thread 1<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=ahmedgamal_Soliman@agr.asu.edu.eg&time=20260507223035&rec=0xa51-222-A0A1U9ZNZ9-F1-model_v6.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2026-05-08 05:04:24 14
('\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/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen ../lib/pdbqt/TCMML_pdbqt 100 null none 6.780 -1.155 -1.844 10 11 9 OXA-23-79-Q9L4P2-F1-model_v6.pdb ahmedgamal_Soliman@agr.asu.edu.eg 1> ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/log.txt 2>../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223035/screen 0xa51-222-A0A1U9ZNZ9-F1-model_v6.pdb ahmedgamal_Soliman@agr.asu.edu.eg TCMML2026-04-22 22:27:22
2026-05-07 22:30:35
2026-05-07 22:30:35
2026-05-07 22:30:35
2026-05-07 22:34:44
2026-05-07 22:30:35

2026-05-07 22:30:35
update status in workRecord success
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