adding gasteiger charges to peptide
sx:30  sy:18  sz:17  
cx:-5.497  cy:11.033  cz:8.770  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=wuqian1019123@163.com&time=20250611103601&rec=CHD-Q96SK2-F1-model_v4_TMEM209.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-06-13 05:07:03 89
('\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/wuqian1019123@163.com/bd-screen/20250611103835/screen ../lib/pdbqt/fdaapp_new 100 null none 14.910 6.388 10.675 19 20 12 CHD-Q9UJ14-F1-model_v4_GGT7.pdb wuqian1019123@163.com 1> ../dock_file/wuqian1019123@163.com/bd-screen/20250611103835/screen/log.txt 2>../dock_file/wuqian1019123@163.com/bd-screen/20250611103835/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/wuqian1019123@163.com/bd-screen/20250611103601/screen CHD-Q96SK2-F1-model_v4_TMEM209.pdb wuqian1019123@163.com FDA-approved2025-06-05 20:02:26
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update status in workRecord success
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