adding gasteiger charges to peptide
sx:17  sy:21  sz:14  
cx:5.250  cy:-15.978  cz:-27.912  
start thread 0<br>
start thread 1<br>
start thread 2<br>
start thread 3<br>
start thread 4<br>
start thread 5<br>
start thread 6<br>
start thread 7<br>
start thread 8<br>
start thread 9<br>
start thread 10<br>
start thread 11<br>
start thread 12<br>
start thread 13<br>
start thread 14<br>
start thread 15<br>
start thread 16<br>
start thread 17<br>
start thread 18<br>
start thread 19<br>
start thread 20<br>
start thread 21<br>
start thread 22<br>
start thread 23<br>
one step finished!start thread 0<br>
start thread 1<br>
start thread 2<br>
start thread 3<br>
start thread 4<br>
start thread 5<br>
start thread 6<br>
start thread 7<br>
start thread 8<br>
start thread 9<br>
start thread 10<br>
start thread 11<br>
start thread 12<br>
start thread 13<br>
start thread 14<br>
start thread 15<br>
start thread 16<br>
start thread 17<br>
start thread 18<br>
start thread 19<br>
start thread 20<br>
start thread 21<br>
start thread 22<br>
start thread 23<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=feiyuxinyang@163.com&time=20250420110154&rec=5hti_pymol.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-04-24 20:28:44 96
('\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/20250420172036/screen ../lib/pdbqt/pdbqt7kb_filter 100 null none -53.752 131.156 35.504 12 13 12 6hg41.pdb sonikamahala47@gmail.com 1> ../dock_file/Guest/bd-screen/20250420172036/screen/log.txt 2>../dock_file/Guest/bd-screen/20250420172036/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/feiyuxinyang@163.com/bd-screen/20250420110154/screen 5hti_pymol.pdb feiyuxinyang@163.com TCMML2025-04-15 23:27:42
2025-04-20 11:01:54
2025-04-20 11:01:54
2025-04-20 11:01:54
2025-04-20 11:01:54
2025-04-20 11:01:54

2025-04-20 11:01:54
update status in workRecord success
閭欢鍙戦€佹垚鍔�