adding gasteiger charges to peptide
sx:12  sy:16  sz:20  
cx:7.184  cy:-0.613  cz:-19.437  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=sheynce@gmail.com&time=20250410220045&rec=A0A8R1XMZ1.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-04-16 00:19:58 99
('\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/sheynce@gmail.com/bd-screen/20250411012016/screen ../lib/pdbqt/fdaapp_new 100 null none 12.905 -4.815 -6.580 21 18 17 A0A8R1XNJ3.pdb sheynce@gmail.com 1> ../dock_file/sheynce@gmail.com/bd-screen/20250411012016/screen/log.txt 2>../dock_file/sheynce@gmail.com/bd-screen/20250411012016/screen/error.txt &')
Error: 未指定口袋参数
php ../php/sendResult_bd.php ../dock_file/sheynce@gmail.com/bd-screen/20250410220045/screen A0A8R1XMZ1.pdb sheynce@gmail.com FDA-approved2025-03-24 08:54:03
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update status in workRecord success
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