adding gasteiger charges to peptide
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS498:ND1
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS498:NE2
sx:12  sy:11  sz:19  
cx:-2.893  cy:35.352  cz:43.829  
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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=Guest&time=20260317033412&rec=TTK_Completed_EM.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2026-03-17 10:09:38 12
('\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/20260316212504/screen ../lib/pdbqt/fdaapp_new 100 null none -115.668 -36.288 -52.510 30 26 30 2wnc_protein.pdb 20220821@njucm.edu.cn 1> ../dock_file/Guest/bd-screen/20260316212504/screen/log.txt 2>../dock_file/Guest/bd-screen/20260316212504/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20260317033412/screen TTK_Completed_EM.pdb monirul.islam.563737@gmail.com TCMML2026-02-16 12:03:14
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update status in workRecord success
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