adding gasteiger charges to peptide
sx:8  sy:8  sz:5  
cx:-24.625  cy:13.825  cz:5.852  
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>
start thread 1<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=2581592031@qq.com&time=20260330153700&rec=ASGPR-6YAU.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2026-03-30 20:54:31 11
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/2581592031@qq.com/bd-screen/20260330153700/screen ASGPR-6YAU.pdb 2581592031@qq.com TCMML2026-03-30 15:37:00
2026-03-30 15:37:00

2026-03-30 15:37:00
update status in workRecord success
邮件发送成功