adding gasteiger charges to peptide
sx:15  sy:9  sz:12  
cx:-14.634  cy:12.839  cz:-5.530  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=jarmila.nahalkova@biochemworld.net&time=20250417131849&rec=8v5u.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-04-22 11:51:23 100
('\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/100519969@est.uasd.edu.do/bd-screen/20250416221725/screen ../lib/pdbqt/fdaapp_new 100 null none 10 5 0 20 20 20 WFF71374.1_E_DENV2.pdb 100519969@est.uasd.edu.do 1> ../dock_file/100519969@est.uasd.edu.do/bd-screen/20250416221725/screen/log.txt 2>../dock_file/100519969@est.uasd.edu.do/bd-screen/20250416221725/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/jarmila.nahalkova@biochemworld.net/bd-screen/20250417131849/screen 8v5u.pdb jarmila.nahalkova@biochemworld.net TCMML2025-02-26 11:20:59
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update status in workRecord success
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