adding gasteiger charges to peptide
sx:16 sy:18 sz:15
cx:22.295 cy:48.782 cz:-18.553
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one step finished!start thread 0
../lib/pdbqt/fdaapp_newFDA-approved View result2025-08-03 20:07:48 8
('\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/20250802220148/screen ../lib/pdbqt/fdaapp_new 200 null none 22.102 47.782 -18.540 15 16 15 model_01-IAGNH.TB.pdb arezouamiri5560@gmail.com 1> ../dock_file/Guest/bd-screen/20250802220148/screen/log.txt 2>../dock_file/Guest/bd-screen/20250802220148/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250802215149/screen model_02-IAGNH-leishmania.pdb arezouamiri5560@gmail.com FDA-approved2025-07-04 18:22:19
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