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