adding gasteiger charges to peptide
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS125:NE2
sx:19  sy:17  sz:23  
cx:-4.878  cy:4.091  cz:-31.146  
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one step finished!start thread 0<br>
../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=mohamedmaiga@icermali.org&time=20250713020118&rec=TRPM2.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-07-14 03:27:23 20
('\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/2875827546@qq.com/bd-screen/20250713103704/screen ../lib/pdbqt/fdaapp_new 100 null none -18.421 -2.140 18.064 16 11 13 AF-B1AJ46-F1-model_v4.pdb 2875827546@qq.com 1> ../dock_file/2875827546@qq.com/bd-screen/20250713103704/screen/log.txt 2>../dock_file/2875827546@qq.com/bd-screen/20250713103704/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/mohamedmaiga@icermali.org/bd-screen/20250713020118/screen TRPM2.pdb mohamedmaiga@icermali.org FDA-approved2025-07-08 23:07:27
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update status in workRecord success
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