adding gasteiger charges to peptide
sx:23  sy:28  sz:17  
cx:0.189  cy:-0.110  cz:-5.936  
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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=20260519185800&rec=ABCG1.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2026-05-20 02:30:45 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/Guest/bd-screen/20260519110419/screen ../lib/pdbqt/fdaapp_new 100 null none 13.607 17.832 7.645 7 9 9 5LBN.pdb panmx@smu.edu.cn 1> ../dock_file/Guest/bd-screen/20260519110419/screen/log.txt 2>../dock_file/Guest/bd-screen/20260519110419/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20260519185800/screen ABCG1.pdb 1359968310@qq.com TCMML2026-04-19 11:28:31
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