adding gasteiger charges to peptide
sx:18  sy:10  sz:17  
cx:110.587  cy:94.788  cz:32.610  
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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=rcxjs@upm.edu.my&time=20260304114300&rec=3Q76.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-03-04 14:42:22 9
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/rcxjs@upm.edu.my/bd-screen/20260304114300/screen 3Q76.pdb rcxjs@upm.edu.my FDA-approved2026-03-04 11:43:00
2026-03-04 11:43:00

2026-03-04 11:43:00
update status in workRecord success
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