adding gasteiger charges to peptide sx:30 sy:30 sz:26 cx:-25.111 cy:-19.561 cz:-14.641 start thread 0
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one step finished!start thread 0
../lib/pdbqt/fdaapp_newFDA-approved View result2025-07-02 20:08:10 89 ('\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/abid.genomics@gmail.com/bd-screen/20250702113212/screen ../lib/pdbqt/fdaapp_new 100 null none 38.839 43.373 -20.031 20 10 10 n-mono.pdb abid.genomics@gmail.com 1> ../dock_file/abid.genomics@gmail.com/bd-screen/20250702113212/screen/log.txt 2>../dock_file/abid.genomics@gmail.com/bd-screen/20250702113212/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/abid.ctbt@uok.edu.in/bd-screen/20250702111327/screen g-sm.pdb abid.ctbt@uok.edu.in FDA-approved2025-07-02 11:13:27 2025-07-02 11:13:27 2025-07-02 11:13:27 update status in workRecord success 邮件发送成功