adding gasteiger charges to peptide
sx:7 sy:10 sz:10
cx:16.205 cy:7.972 cz:50.409
start thread 0
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one step finished!start thread 0
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../lib/pdbqt/TCMML_pdbqtTCMML View result2026-03-09 13:00:22 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/20260309100839/screen ../lib/pdbqt/TCMML_pdbqt 100 null none 11.396 2.237 38.583 6 7 15 5ufi_protein.pdb 18927242386@163.com 1> ../dock_file/Guest/bd-screen/20260309100839/screen/log.txt 2>../dock_file/Guest/bd-screen/20260309100839/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/18927242386@163.com/bd-screen/20260309084711/screen 5ufi_protein.pdb 18927242386@163.com TCMML2026-03-09 08:47:11
2026-03-09 08:47:11
2026-03-09 08:47:11
update status in workRecord success
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