adding gasteiger charges to peptide
sx:22  sy:12  sz:25  
cx:6.072  cy:10.271  cz:10.862  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=amir.pazhuhan@gmail.com&time=20250402163031&rec=file_result.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-04-07 20:47:51 77
('\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/jkoza@nebrwesleyan.edu/bd-screen/20250402091805/screen ../lib/pdbqt/fdaapp_new 100 null none 28.392 -20.978 -17.341 19 13 23 5fsg.pdb jkoza@nebrwesleyan.edu 1> ../dock_file/jkoza@nebrwesleyan.edu/bd-screen/20250402091805/screen/log.txt 2>../dock_file/jkoza@nebrwesleyan.edu/bd-screen/20250402091805/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/amir.pazhuhan@gmail.com/bd-screen/20250402163031/screen file_result.pdb amir.pazhuhan@gmail.com FDA-approved2025-04-02 16:30:31
2025-04-02 16:30:31

2025-04-02 16:30:31
update status in workRecord success
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