adding gasteiger charges to peptide
sx:10  sy:11  sz:16  
cx:0.899  cy:1.102  cz:0.200  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=ahmedgamal_Soliman@agr.asu.edu.eg&time=20260422222722&rec=gtfB-P08987-404-model_v6.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2026-04-23 07:05:33 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/Guest/bd-screen/20260422223933/screen ../lib/pdbqt/fdaapp_new 100 null none -26.446 0.381 17.296 30 30 29 receptor.pdb fangsenbiao@gmail.com 1> ../dock_file/Guest/bd-screen/20260422223933/screen/log.txt 2>../dock_file/Guest/bd-screen/20260422223933/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260422222722/screen gtfB-P08987-404-model_v6.pdb ahmedgamal_Soliman@agr.asu.edu.eg TCMML2026-04-22 22:27:22
2026-04-22 22:27:22

2026-04-22 22:27:22
update status in workRecord success
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