adding gasteiger charges to peptide
sx:25  sy:30  sz:23  
cx:14.559  cy:-7.795  cz:6.170  
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/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=zhoutao@njmu.edu.cn&time=20250730173114&rec=PATL2_human.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-07-30 22:23:28 2
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/zhoutao@njmu.edu.cn/bd-screen/20250730173114/screen PATL2_human.pdb zhoutao@njmu.edu.cn TCMML2025-07-30 17:31:14
2025-07-30 17:31:14

2025-07-30 17:31:14
update status in workRecord success
邮件发送成功