adding gasteiger charges to peptide
sx:22  sy:26  sz:27  
cx:-17.393  cy:-41.806  cz:12.578  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=Guest&time=20240331150759&rec=4lsd.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2024-03-31 21:02:59 -4
开始运行命令： perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/Guest/bd-screen/20240331061555/screen ../lib/pdbqt/fdaapp_new 200 null none 14.086 -9.387 -32.759 20 30 21 5hia.pdb kutubashraf116@gmail.com 1> ../dock_file/Guest/bd-screen/20240331061555/screen/log.txt 2>../dock_file/Guest/bd-screen/20240331061555/screen/error.txt &
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20240331150759/screen 4lsd.pdb sompot.jant@gmail.com TCMMLupdate status in workRecord success
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