adding gasteiger charges to peptide
sx:16  sy:20  sz:30  
cx:-21.178  cy:-17.069  cz:24.318  
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/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=caishanlivet@outlook.com&time=20250413224251&rec=S1_AHG25348.1_model1.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-04-18 15:01:23 98
('\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/caishanlivet@outlook.com/bd-screen/20250413235701/screen ../lib/pdbqt/fdaapp_new 100 null none 1.040 5.819 16.002 17 18 22 S2_AHG25349.1_model4.pdb caishanlivet@outlook.com 1> ../dock_file/caishanlivet@outlook.com/bd-screen/20250413235701/screen/log.txt 2>../dock_file/caishanlivet@outlook.com/bd-screen/20250413235701/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/caishanlivet@outlook.com/bd-screen/20250413224251/screen S1_AHG25348.1_model1.pdb caishanlivet@outlook.com FDA-approved2025-04-12 22:41:21
2025-04-13 22:42:51
2025-04-13 11:23:46
2025-04-13 22:42:51
2025-04-13 11:26:10
2025-04-13 22:42:51
2025-04-13 11:28:00
2025-04-13 22:42:51
2025-04-13 11:29:11
2025-04-13 22:42:51
2025-04-13 12:22:53
2025-04-13 22:42:51
2025-04-13 16:13:58
2025-04-13 22:42:51
2025-04-13 16:16:34
2025-04-13 22:42:51
2025-04-13 16:18:37
2025-04-13 22:42:51
2025-04-13 17:31:45
2025-04-13 22:42:51
2025-04-13 22:36:19
2025-04-13 22:42:51
2025-04-13 22:36:19
2025-04-13 22:42:51
2025-04-13 22:36:19
2025-04-13 22:42:51
2025-04-13 22:40:25
2025-04-13 22:42:51
2025-04-13 22:42:51
2025-04-13 22:42:51
2025-04-13 23:57:01
2025-04-13 22:42:51
2025-04-14 09:36:26
2025-04-13 22:42:51

2025-04-13 22:42:51
update status in workRecord success
閭欢鍙戦€佹垚鍔�