adding gasteiger charges to peptide
sx:22  sy:14  sz:20  
cx:-9.859  cy:-14.003  cz:18.076  
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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=2218740167@qq.com&time=20260420164552&rec=6KZD.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-04-20 19:47:10 12
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/2218740167@qq.com/bd-screen/20260420164552/screen 6KZD.pdb 2218740167@qq.com FDA-approved2026-04-20 16:45:52
2026-04-20 16:45:52

2026-04-20 16:45:52
update status in workRecord success
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