adding gasteiger charges to peptide sx:15 sy:28 sz:15 cx:-2.908 cy:6.235 cz:5.286 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
start thread 12
start thread 13
start thread 14
start thread 15
start thread 16
start thread 17
start thread 18
start thread 19
start thread 20
start thread 21
start thread 22
start thread 23
one step finished!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
start thread 12
start thread 13
start thread 14
start thread 15
start thread 16
start thread 17
start thread 18
start thread 19
start thread 20
start thread 21
start thread 22
start thread 23
../lib/pdbqt/fdaapp_newFDA-approved View result2025-03-03 21:02:10 33 ('\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/544769893@qq.com/bd-screen/20250302184502/screen ../lib/pdbqt/fdaapp_new 100 null none 4.202 -14.450 13.194 15 6 6 AF-A0A3M6SHF3-F1-model_v4.pdb 544769893@qq.com 1> ../dock_file/544769893@qq.com/bd-screen/20250302184502/screen/log.txt 2>../dock_file/544769893@qq.com/bd-screen/20250302184502/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/1195418121@qq.com/bd-screen/20250302170348/screen 51971.pdb 1195418121@qq.com FDA-approved2025-03-02 17:03:48 2025-03-02 17:03:48 2025-03-02 17:03:48 update status in workRecord success 邮件发送成功