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/pdbqt7kb_filterFDA-experimental<a href="screenresult_blinddock.php?user=nehagnanaguru@gmail.com&time=20260328103409&rec=ScaC.pdb&lib=FDA-experimental" target="_blank" class="alert-link text-primary"> View result</a>2026-03-29 07:54:12 19
('\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/nehagnanaguru@gmail.com/bd-screen/20260328103559/screen ../lib/pdbqt/TCMML_pdbqt 100 null none -22.975 6.160 30.854 4 4 2 ScaC.pdb nehagnanaguru@gmail.com 1> ../dock_file/nehagnanaguru@gmail.com/bd-screen/20260328103559/screen/log.txt 2>../dock_file/nehagnanaguru@gmail.com/bd-screen/20260328103559/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/nehagnanaguru@gmail.com/bd-screen/20260328103409/screen ScaC.pdb nehagnanaguru@gmail.com FDA-experimental2026-03-26 13:18:04
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update status in workRecord success
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