adding gasteiger charges to peptide
sx:20  sy:19  sz:30  
cx:-5.914  cy:-12.684  cz:32.971  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=caishanlivet@outlook.com&time=20250413161837&rec=R3_AHG25352.1_model2.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-04-18 09:22:19 99
('\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/caishanlivet@outlook.com/bd-screen/20250413173145/screen ../lib/pdbqt/fdaapp_new 100 null none -1.518 5.463 14.767 25 18 22 R4_AHG25353.1_model4.pdb caishanlivet@outlook.com 1> ../dock_file/caishanlivet@outlook.com/bd-screen/20250413173145/screen/log.txt 2>../dock_file/caishanlivet@outlook.com/bd-screen/20250413173145/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/caishanlivet@outlook.com/bd-screen/20250413161837/screen R3_AHG25352.1_model2.pdb caishanlivet@outlook.com FDA-approved2025-04-12 22:41:21
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