adding gasteiger charges to peptide
sx:10  sy:22  sz:8  
cx:5.405  cy:1.252  cz:6.935  
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../lib/pdbqt/testtest<a href="screenresult_blinddock.php?user=nehagnanaguru@gmail.com&time=20260326145448&rec=ScaA.pdb&lib=test" target="_blank" class="alert-link text-primary"> View result</a>2026-03-27 15:36:21 20
('\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/20260326150552/screen ../lib/pdbqt/test 100 null none 5.405 1.252 6.935 10 22 8 ScaA.pdb nehagnanaguru@gmail.com 1> ../dock_file/nehagnanaguru@gmail.com/bd-screen/20260326150552/screen/log.txt 2>../dock_file/nehagnanaguru@gmail.com/bd-screen/20260326150552/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/nehagnanaguru@gmail.com/bd-screen/20260326145448/screen ScaA.pdb nehagnanaguru@gmail.com test2026-03-26 13:18:04
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update status in workRecord success
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