adding gasteiger charges to peptide
sx:4 sy:4 sz:2
cx:-22.975 cy:6.160 cz:30.854
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../lib/pdbqt/testtest View result2026-03-29 10:39:35 17
('\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/20260328224208/screen ../lib/pdbqt/fdaapp_new 200 null none -6.0531 -2.2595 -4.7557 30 30 30 wbp2.pdb uraza345@yahoo.com 1> ../dock_file/Guest/bd-screen/20260328224208/screen/log.txt 2>../dock_file/Guest/bd-screen/20260328224208/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/nehagnanaguru@gmail.com/bd-screen/20260328103704/screen ScaC.pdb nehagnanaguru@gmail.com test2026-03-26 13:18:04
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