adding gasteiger charges to peptide
sx:8  sy:7  sz:11  
cx:12.789  cy:-20.208  cz:-5.040  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=yexuan102030@163.com&time=20250406221555&rec=hsa-RNF144B.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-04-10 13:51:11 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/20250407010054/screen ../lib/pdbqt/fdaapp_new 100 null none -6.490 10.397 -4.004 26 16 14 model3.pdb 2381788291@qq.com 1> ../dock_file/Guest/bd-screen/20250407010054/screen/log.txt 2>../dock_file/Guest/bd-screen/20250407010054/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/yexuan102030@163.com/bd-screen/20250406221555/screen hsa-RNF144B.pdb yexuan102030@163.com TCMML2025-03-26 11:47:20
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update status in workRecord success
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