adding gasteiger charges to peptide
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS1670:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS2106:NE2
正在运行命令： perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/Guest/bd-screen/20250521102538/screen ../lib/pdbqt/fdaapp_new 100 ../dock_file/Guest/bd-screen/20250521102538/screen/ none 11.358 24.199 -29.793 30 28 30 mTOR1370.pdb a0188276500@gmail.com 1> ../dock_file/Guest/bd-screen/20250521102538/screen/log.txt 2>../dock_file/Guest/bd-screen/20250521102538/screen/error.txt &
Error in opening ../dock_file/Guest/bd-screen/20250521102538/screen/ifCocrystal.txtsx:30  sy:28  sz:30  
cx:11.358  cy:24.199  cz:-29.793  
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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=20250521102538&rec=mTOR1370.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-05-21 15:11:18 68
没有可运行的命令

('lines', [])
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update status in workRecord success
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