adding gasteiger charges to peptide
sx:13  sy:20  sz:18  
cx:122.151  cy:100.089  cz:-40.936  
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>
one step finished!start thread 0<br>
../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=sawantsaiprem@gmail.com&time=20250726144011&rec=5o1b.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-07-28 00:20:46 27
('\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/sawantsaiprem@gmail.com/bd-screen/20250726145724/screen ../lib/pdbqt/fdaapp_new 100 null none 122.151 100.089 -40.936 13 20 18 5o1b.pdb sawantsaiprem@gmail.com 1> ../dock_file/sawantsaiprem@gmail.com/bd-screen/20250726145724/screen/log.txt 2>../dock_file/sawantsaiprem@gmail.com/bd-screen/20250726145724/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/sawantsaiprem@gmail.com/bd-screen/20250726144011/screen 5o1b.pdb sawantsaiprem@gmail.com FDA-approved2025-07-26 14:40:11
2025-07-26 14:40:11
2025-07-26 14:57:24
2025-07-26 14:40:11
2025-07-26 22:10:59
2025-07-26 14:40:11
2025-07-26 22:30:48
2025-07-26 14:40:11
2025-07-27 07:58:01
2025-07-26 14:40:11
2025-07-27 08:12:29
2025-07-26 14:40:11
2025-07-27 08:14:40
2025-07-26 14:40:11

2025-07-26 14:40:11
update status in workRecord success
邮件发送成功