adding gasteiger charges to peptide sx:22 sy:25 sz:19 cx:112.138 cy:2.922 cz:12.109 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 result2025-07-13 20:20:30 19 ('\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/mohamedmaiga@icermali.org/bd-screen/20250713005213/screen ../lib/pdbqt/fdaapp_new 100 null none -21.496 -4.567 -2.141 26 13 25 TRPM2.pdb mohamedmaiga@icermali.org 1> ../dock_file/mohamedmaiga@icermali.org/bd-screen/20250713005213/screen/log.txt 2>../dock_file/mohamedmaiga@icermali.org/bd-screen/20250713005213/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/mohamedmaiga@icermali.org/bd-screen/20250713004156/screen 4MUB.pdb mohamedmaiga@icermali.org FDA-approved2025-07-08 23:07:27 2025-07-13 00:41:56 2025-07-08 23:25:54 2025-07-13 00:41:56 2025-07-13 00:24:15 2025-07-13 00:41:56 2025-07-13 00:41:56 2025-07-13 00:41:56 2025-07-13 00:52:13 2025-07-13 00:41:56 2025-07-13 02:01:18 2025-07-13 00:41:56 2025-07-13 02:34:39 2025-07-13 00:41:56 2025-07-13 02:40:08 2025-07-13 00:41:56 2025-07-13 00:41:56 update status in workRecord success 邮件发送成功