adding gasteiger charges to peptide
sx:30  sy:28  sz:26  
cx:-23.766  cy:-19.493  cz:46.279  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=894190893@qq.com&time=20250402164515&rec=AF-Q92508-F1-model_v4.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-04-07 15:25:02 79
('\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/894190893@qq.com/bd-screen/20250402165537/screen ../lib/pdbqt/fdaapp_new 100 null none -23.766 -19.493 46.279 30 28 26 AF-Q92508-F1-model_v4.pdb 894190893@qq.com 1> ../dock_file/894190893@qq.com/bd-screen/20250402165537/screen/log.txt 2>../dock_file/894190893@qq.com/bd-screen/20250402165537/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/894190893@qq.com/bd-screen/20250402164515/screen AF-Q92508-F1-model_v4.pdb 894190893@qq.com TCMML2025-04-02 16:45:15
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2025-04-02 16:45:15

2025-04-02 16:45:15
update status in workRecord success
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