adding gasteiger charges to peptide
sx:21  sy:15  sz:11  
cx:-32.996  cy:-13.281  cz:59.671  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=feiyuxinyang@163.com&time=20250415232742&rec=4clj_protein.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-04-20 04:52:32 98
('\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/20250415203512/screen ../lib/pdbqt/fdaapp_new 100 null none -47.806 12.726 3.364 17 20 28 4g31-Cleaned.pdb 202215092@students.asu.edu.jo 1> ../dock_file/Guest/bd-screen/20250415203512/screen/log.txt 2>../dock_file/Guest/bd-screen/20250415203512/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/feiyuxinyang@163.com/bd-screen/20250415232742/screen 4clj_protein.pdb feiyuxinyang@163.com TCMML2025-04-15 23:27:42
2025-04-15 23:27:42

2025-04-15 23:27:42
update status in workRecord success
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