adding gasteiger charges to peptide
sx:22  sy:13  sz:26  
cx:4.768  cy:37.872  cz:13.354  
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one step finished!start thread 0<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=1773131099@qq.com&time=20250707151702&rec=1.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-07-08 01:26:21 100
('\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/Guest/bd-screen/20250707125206/screen ../lib/pdbqt/pdbqt7kb_filter 100 null none 23.380 23.231 49.428 7 9 8 1aap.pdb tiwarishalu014@gmail.com 1> ../dock_file/Guest/bd-screen/20250707125206/screen/log.txt 2>../dock_file/Guest/bd-screen/20250707125206/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/1773131099@qq.com/bd-screen/20250707151702/screen 1.pdb 1773131099@qq.com TCMML2025-07-02 11:45:37
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