adding gasteiger charges to peptide sx:34.9 sy:34.9 sz:34.9 cx:-25 cy:-10 cz:13 start thread 0
start thread 1
start thread 2
start thread 3
start thread 4
start thread 5
start thread 6
start thread 7
start thread 8
start thread 9
start thread 10
start thread 11
one step finished!start thread 0
../lib/pdbqt/fdaapp_newFDA-approved View result2025-08-22 00:44:32 109 ('\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/20250820113257/screen ../lib/pdbqt/TCMML_pdbqt 100 null none 9.292 8.316 -11.325 19 29 25 3dzk.pdb 18520967213@163.com 1> ../dock_file/Guest/bd-screen/20250820113257/screen/log.txt 2>../dock_file/Guest/bd-screen/20250820113257/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/abolhassanbahari@gmail.com/bd-screen/20250819180110/screen 7rnu_cleaned_dockprep.pdb abolhassanbahari@gmail.com FDA-approved2025-06-26 17:01:58 2025-08-19 18:01:10 2025-08-19 18:01:10 2025-08-19 18:01:10 2025-08-19 18:01:10 update status in workRecord success 邮件发送成功