adding gasteiger charges to peptide sx:26 sy:12 sz:17 cx:-13.404 cy:21.468 cz:-30.537 start thread 0
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one step finished!start thread 0
../lib/pdbqt/fdaapp_newFDA-approved View result2025-06-23 00:03:11 80 ('\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/20250621180312/screen ../lib/pdbqt/fdaapp_new 100 null none 80.870 65.282 99.377 30 30 30 frame_pyr_ee_23246_1.pdb paronyanadrine@gmail.com 1> ../dock_file/Guest/bd-screen/20250621180312/screen/log.txt 2>../dock_file/Guest/bd-screen/20250621180312/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/pralaya180@gmail.com/bd-screen/20250621185758/screen 6kdp.pdb pralaya180@gmail.com FDA-approved2025-05-24 17:24:47 2025-06-21 18:57:58 2025-05-24 17:27:44 2025-06-21 18:57:58 2025-05-24 22:47:46 2025-06-21 18:57:58 2025-05-25 08:35:54 2025-06-21 18:57:58 2025-06-21 18:48:31 2025-06-21 18:57:58 2025-06-21 18:57:58 2025-06-21 18:57:58 2025-06-21 18:57:58 update status in workRecord success 邮件发送成功