adding gasteiger charges to peptide
sx:9  sy:13  sz:18  
cx:-26.018  cy:3.072  cz:10.694  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=981646026@qq.com&time=20260209104622&rec=7EBB2.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-02-15 08:19:43 26
('\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/981646026@qq.com/bd-screen/20260209104724/screen ../lib/pdbqt/TCMML_pdbqt 100 null none -17.238 7.076 26.286 13 14 10 7EBB2.pdb 981646026@qq.com 1> ../dock_file/981646026@qq.com/bd-screen/20260209104724/screen/log.txt 2>../dock_file/981646026@qq.com/bd-screen/20260209104724/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/981646026@qq.com/bd-screen/20260209104622/screen 7EBB2.pdb 981646026@qq.com FDA-approved2026-01-30 13:27:30
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update status in workRecord success
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