adding gasteiger charges to peptide
sx:9  sy:12  sz:8  
cx:-17.083  cy:-1.663  cz:1.476  
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=jonahjun.wu@gmail.com&time=20250718115617&rec=Q9NZC2_AF_model.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-07-20 23:34:21 28
('\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/20250718174629/screen ../lib/pdbqt/fdaapp_new 100 null none -24.360 11.340 6.345 11 15 14 nrbp2.pdb haozhang163@163.com 1> ../dock_file/Guest/bd-screen/20250718174629/screen/log.txt 2>../dock_file/Guest/bd-screen/20250718174629/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/jonahjun.wu@gmail.com/bd-screen/20250718115617/screen Q9NZC2_AF_model.pdb jonahjun.wu@gmail.com FDA-approved2025-07-17 07:56:41
2025-07-18 11:56:17
2025-07-17 09:57:58
2025-07-18 11:56:17
2025-07-18 11:56:17
2025-07-18 11:56:17

2025-07-18 11:56:17
update status in workRecord success
邮件发送成功