adding gasteiger charges to peptide
sx:30  sy:20  sz:30  
cx:-10.880  cy:6.226  cz:2.032  
start thread 0<br>
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one step finished!start thread 0<br>
../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=Guest&time=20250625210602&rec=AlphaRefinadoPDB.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-06-27 19:41:22 98
('\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/20250625212155/screen ../lib/pdbqt/fdaapp_new 100 null none 7.923 -12.863 25.689 25 30 22 SwissRefinadoPDB.pdb luasilva19999@gmail.com 1> ../dock_file/Guest/bd-screen/20250625212155/screen/log.txt 2>../dock_file/Guest/bd-screen/20250625212155/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250625210602/screen AlphaRefinadoPDB.pdb luasilvacontato@gmail.com FDA-approved2025-05-28 21:11:44
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update status in workRecord success
邮件发送成功