adding gasteiger charges to peptide
正在运行命令： perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/Guest/bd-screen/20250414114144/screen ../lib/pdbqt/fdaapp_new 1 ../dock_file/Guest/bd-screen/20250414114144/screen/ none 35.1 28.8 -13.6 16 15 16 _1htn.pdb sarfrazahmed6954@yu.ac.kr 1> ../dock_file/Guest/bd-screen/20250414114144/screen/log.txt 2>../dock_file/Guest/bd-screen/20250414114144/screen/error.txt &
Error in opening ../dock_file/Guest/bd-screen/20250414114144/screen/ifCocrystal.txtsx:16  sy:15  sz:16  
cx:35.1  cy:28.8  cz:-13.6  
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one step finished!start thread 0<br>
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=Guest&time=20250414114144&rec=_1htn.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-04-19 02:58:06 93
('\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/angshu@klyuniv.ac.in/bd-screen/20250414130057/screen ../lib/pdbqt/fdaapp_new 100 null none 52.924 6.310 4.292 16 10 5 MAPK1-109aa.pdb angshu@klyuniv.ac.in 1> ../dock_file/angshu@klyuniv.ac.in/bd-screen/20250414130057/screen/log.txt 2>../dock_file/angshu@klyuniv.ac.in/bd-screen/20250414130057/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250414114144/screen _1htn.pdb sarfrazahmed6954@yu.ac.kr FDA-approved2025-03-20 08:55:24
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