adding gasteiger charges to peptide
sx:30  sy:19  sz:30  
cx:137.842  cy:156.349  cz:169.180  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=weixn@zzu.edu.cn&time=20250325083913&rec=swiss-nsp12.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-03-30 21:58:00 100
('\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/wei_xuepeng@gzlab.ac.cn/bd-screen/20250325100157/screen ../lib/pdbqt/fdaapp_new 100 null none 125.201 113.762 154.927 30 30 30 FATP2-apo-unligand.pdb wei_xuepeng@gzlab.ac.cn 1> ../dock_file/wei_xuepeng@gzlab.ac.cn/bd-screen/20250325100157/screen/log.txt 2>../dock_file/wei_xuepeng@gzlab.ac.cn/bd-screen/20250325100157/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/weixn@zzu.edu.cn/bd-screen/20250325083913/screen swiss-nsp12.pdb weixn@zzu.edu.cn TCMML2025-03-20 14:29:16
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2025-03-25 08:39:13

2025-03-25 08:39:13
update status in workRecord success
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