adding gasteiger charges to peptide
sx:4  sy:4  sz:2  
cx:-22.975  cy:6.160  cz:30.854  
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one step finished!start thread 0<br>
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=aksaannaajith@gmail.com&time=20260327115153&rec=ScaC.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2026-03-28 08:41:05 18
('\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/aksaannaajith@gmail.com/bd-screen/20260327115325/screen ../lib/pdbqt/test 100 null none -22.975 6.160 30.854 4 4 2 ScaC.pdb aksaannaajith@gmail.com 1> ../dock_file/aksaannaajith@gmail.com/bd-screen/20260327115325/screen/log.txt 2>../dock_file/aksaannaajith@gmail.com/bd-screen/20260327115325/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/aksaannaajith@gmail.com/bd-screen/20260327115153/screen ScaC.pdb aksaannaajith@gmail.com TCMML2026-03-27 11:42:43
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2026-03-27 11:51:53
update status in workRecord success
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