adding gasteiger charges to peptide sx:13 sy:15 sz:27 cx:-46.099 cy:0.950 cz:47.753 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
start thread 1
../lib/pdbqt/fdaapp_newFDA-approved View result2026-02-16 19:21:34 10 ('\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/ic528@georgetown.edu/bd-screen/20260214010512/screen ../lib/pdbqt/fdaapp_new 100 null none 19.249 -15.517 -6.326 11 9 9 7RNS_Apo_Clean.pdb ic528@georgetown.edu 1> ../dock_file/ic528@georgetown.edu/bd-screen/20260214010512/screen/log.txt 2>../dock_file/ic528@georgetown.edu/bd-screen/20260214010512/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/terina8204@gmail.com/bd-screen/20260213105102/screen GPRC6A_7TM_prepared.pdb terina8204@gmail.com FDA-approved2025-12-19 20:46:57 2026-02-13 10:51:02 2026-01-11 00:28:28 2026-02-13 10:51:02 2026-01-11 00:39:48 2026-02-13 10:51:02 2026-01-11 00:42:35 2026-02-13 10:51:02 2026-01-11 14:03:21 2026-02-13 10:51:02 2026-01-11 14:07:42 2026-02-13 10:51:02 2026-01-11 19:51:50 2026-02-13 10:51:02 2026-01-11 21:35:38 2026-02-13 10:51:02 2026-01-11 21:43:18 2026-02-13 10:51:02 2026-01-12 01:01:24 2026-02-13 10:51:02 2026-01-12 01:23:05 2026-02-13 10:51:02 2026-01-12 18:21:26 2026-02-13 10:51:02 2026-01-12 18:22:31 2026-02-13 10:51:02 2026-02-13 10:51:02 2026-02-13 10:51:02 2026-02-13 10:51:02 update status in workRecord success 邮件发送成功