adding gasteiger charges to peptide
sx:7  sy:13  sz:5  
cx:16.538  cy:-2.766  cz:5.557  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=Guest&time=20250526170817&rec=3lbj_protein.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-05-26 21:49:10 74
('\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/20250526201246/screen ../lib/pdbqt/fdaapp_new 100 null none 145.678 145.572 151.035 30 30 28 6xdc.pdb 2213543198@qq.com 1> ../dock_file/Guest/bd-screen/20250526201246/screen/log.txt 2>../dock_file/Guest/bd-screen/20250526201246/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250526170817/screen 3lbj_protein.pdb saravananbioinform@gmail.com TCMML2025-04-27 20:04:45
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