adding gasteiger charges to peptide
sx:24  sy:23  sz:19  
cx:18.562  cy:1.742  cz:-13.560  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=sheynce@gmail.com&time=20250419122047&rec=A0A8R1Y3T1.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-04-24 10:24:40 97
('\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/sheynce@gmail.com/bd-screen/20250419122310/screen ../lib/pdbqt/fdaapp_new 100 null none 13.332 -4.571 -15.943 30 18 30 A0A8R1Y5J4.pdb sheynce@gmail.com 1> ../dock_file/sheynce@gmail.com/bd-screen/20250419122310/screen/log.txt 2>../dock_file/sheynce@gmail.com/bd-screen/20250419122310/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/sheynce@gmail.com/bd-screen/20250419122047/screen A0A8R1Y3T1.pdb sheynce@gmail.com FDA-approved2025-03-24 08:54:03
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update status in workRecord success
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