'1 ' apparently composed of not std residues. Deleting 
adding gasteiger charges to peptide
sx:16  sy:23  sz:12  
cx:32.126  cy:12.180  cz:85.847  
start thread 0<br>
start thread 1<br>
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one step finished!start thread 0<br>
start thread 1<br>
../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=rtjong@uw.edu&time=20260313105214&rec=1TUP_R248Q.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-03-14 05:26:59 14
('\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/rtjong@uw.edu/bd-screen/20260313111905/screen ../lib/pdbqt/fdaapp_new 100 null none 69.292 43.242 83.643 20 9 9 1TUP_R248Q.pdb rtjong@uw.edu 1> ../dock_file/rtjong@uw.edu/bd-screen/20260313111905/screen/log.txt 2>../dock_file/rtjong@uw.edu/bd-screen/20260313111905/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/rtjong@uw.edu/bd-screen/20260313105214/screen 1TUP_R248Q.pdb rtjong@uw.edu FDA-approved2026-03-06 23:25:48
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2026-03-13 10:52:14
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