adding gasteiger charges to peptide sx:30 sy:20 sz:19 cx:51.867 cy:1.442 cz:14.528 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 result2026-04-03 04:01:59 12 ('\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/20260402225752/screen ../lib/pdbqt/test 100 null none -69.490 24.816 28.290 12 17 15 7DM0-clean.pdb faizaiqbal238@gmail.com 1> ../dock_file/Guest/bd-screen/20260402225752/screen/log.txt 2>../dock_file/Guest/bd-screen/20260402225752/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/Kaweesadickson2@gmail.com/bd-screen/20260402190813/screen 4CQ8.pdb Kaweesadickson2@gmail.com FDA-approved2026-04-02 19:08:13 2026-04-02 19:08:13 2026-04-02 19:08:13 update status in workRecord success 邮件发送成功