adding gasteiger charges to peptide
sx:16 sy:16 sz:13
cx:-0.020 cy:16.080 cz:-5.990
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one step finished!start thread 0
../lib/pdbqt/fdaapp_newFDA-approved View result2025-07-17 03:59:28 25
('\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/Guest/bd-screen/20250714163950/screen ../lib/pdbqt/fdaapp_new 10 null none 7.156 -6.141 7.185 13 18 15 AF-Q9I0P4-F1-model_v4.pdb ankitpatra3110@gmail.com 1> ../dock_file/Guest/bd-screen/20250714163950/screen/log.txt 2>../dock_file/Guest/bd-screen/20250714163950/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/deepanjanmbbt22@klyuniv.ac.in/bd-screen/20250714123539/screen EFG1_model_4_final.pdb deepanjanmbbt22@klyuniv.ac.in FDA-approved2025-06-16 12:00:32
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update status in workRecord success
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