adding gasteiger charges to peptide
正在运行命令： perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/terina8204@gmail.com/bd-screen/20260218150322/screen ../lib/pdbqt/fdaapp_new 50 ../dock_file/terina8204@gmail.com/bd-screen/20260218150322/screen/ none -19.132 5.898 11.549 23 20 19 7UM4_ligand.pdb terina8204@gmail.com 1> ../dock_file/terina8204@gmail.com/bd-screen/20260218150322/screen/log.txt 2>../dock_file/terina8204@gmail.com/bd-screen/20260218150322/screen/error.txt &
Error in opening ../dock_file/terina8204@gmail.com/bd-screen/20260218150322/screen/ifCocrystal.txtsx:23  sy:20  sz:19  
cx:-19.132  cy:5.898  cz:11.549  
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one step finished!start thread 0<br>
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=terina8204@gmail.com&time=20260218150322&rec=7UM4_ligand.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-02-19 03:01:59 8
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/terina8204@gmail.com/bd-screen/20260218150322/screen 7UM4_ligand.pdb terina8204@gmail.com FDA-approved2026-01-11 00:28:28
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update status in workRecord success
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