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:26  sy:13  sz:25  
cx:-21.496  cy:-4.567  cz:-2.141  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=mohamedmaiga@icermali.org&time=20250713005213&rec=TRPM2.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-07-13 22:14:04 18
('\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/sciencechen@126.com/bd-screen/20250713101058/screen ../lib/pdbqt/TCMML_pdbqt 100 null none -18.421 -2.140 18.064 16 11 13 UPA3_0423.pdb sciencechen@126.com 1> ../dock_file/sciencechen@126.com/bd-screen/20250713101058/screen/log.txt 2>../dock_file/sciencechen@126.com/bd-screen/20250713101058/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/mohamedmaiga@icermali.org/bd-screen/20250713005213/screen TRPM2.pdb mohamedmaiga@icermali.org FDA-approved2025-07-08 23:07:27
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