adding gasteiger charges to peptide
sx:30  sy:30  sz:30  
cx:-6.846  cy:2.420  cz:-5.857  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=wuqian1019123@163.com&time=20250607145701&rec=AF-Q15392-F1-model_v4_DHCR24.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-06-09 11:12:22 83
('\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/WYJ2019SCU@163.COM/bd-screen/20250607164349/screen ../lib/pdbqt/test 20 null none -37.392 68.649 -4.382 18 16 21 BC1.pdb WYJ2019SCU@163.COM 1> ../dock_file/WYJ2019SCU@163.COM/bd-screen/20250607164349/screen/log.txt 2>../dock_file/WYJ2019SCU@163.COM/bd-screen/20250607164349/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/wuqian1019123@163.com/bd-screen/20250607145701/screen AF-Q15392-F1-model_v4_DHCR24.pdb wuqian1019123@163.com FDA-approved2025-06-05 20:02:26
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update status in workRecord success
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