adding gasteiger charges to peptide
sx:9  sy:11  sz:8  
cx:-11.986  cy:-19.525  cz:2.618  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=xiajianleichina@126.com&time=20250321024153&rec=9dzm3.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-03-25 12:48:15 93
('\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/20250321092625/screen ../lib/pdbqt/TCMML_pdbqt 100 null none 3.260 -3.049 57.633 30 21 26 2BMFREC.pdb rsatpathy@gmuniversity.ac.in 1> ../dock_file/Guest/bd-screen/20250321092625/screen/log.txt 2>../dock_file/Guest/bd-screen/20250321092625/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/xiajianleichina@126.com/bd-screen/20250321024153/screen 9dzm3.pdb xiajianleichina@126.com TCMML2025-03-21 02:41:53
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update status in workRecord success
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