adding gasteiger charges to peptide
sx:9  sy:12  sz:13  
cx:46.965  cy:8.302  cz:89.208  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=rtjong@uw.edu&time=20260317105637&rec=1TUP_R248W.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-03-18 09:10:32 16
('\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/20260317220642/screen ../lib/pdbqt/fdaapp_new 100 null none 8.194 -1.576 0.956 22 8 26 model_4_A0A2K6VLU7.pdb sheynce@gmail.com 1> ../dock_file/sheynce@gmail.com/bd-screen/20260317220642/screen/log.txt 2>../dock_file/sheynce@gmail.com/bd-screen/20260317220642/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/rtjong@uw.edu/bd-screen/20260317105637/screen 1TUP_R248W.pdb rtjong@uw.edu FDA-approved2026-03-06 23:25:48
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