adding gasteiger charges to peptide
sx:16  sy:14  sz:10  
cx:36.375  cy:32.361  cz:31.569  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=kkomal200417@gmail.com&time=20250326221853&rec=1l6j.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-04-02 20:56:01 100
('\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/likun323747@163.com/bd-screen/20250327144604/screen ../lib/pdbqt/TCMML_pdbqt 100 ../dock_file/likun323747@163.com/bd-screen/20250327144604/screen/ none 16.778 10.086 10.130 6 6 7 5a0c.pdb likun323747@163.com 1> ../dock_file/likun323747@163.com/bd-screen/20250327144604/screen/log.txt 2>../dock_file/likun323747@163.com/bd-screen/20250327144604/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/kkomal200417@gmail.com/bd-screen/20250326221853/screen 1l6j.pdb kkomal200417@gmail.com FDA-approved2025-03-26 22:18:53
2025-03-26 22:18:53
2025-03-28 10:17:39
2025-03-26 22:18:53

2025-03-26 22:18:53
update status in workRecord success
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