adding gasteiger charges to peptide
sx:13  sy:19  sz:17  
cx:-22.911  cy:2.286  cz:32.297  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=nehagnanaguru@gmail.com&time=20260326133027&rec=TSA56.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2026-03-27 08:04:30 19
('\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/nehagnanaguru@gmail.com/bd-screen/20260326140103/screen ../lib/pdbqt/fdaapp_new 100 null none 5.405 1.252 6.935 10 22 8 ScaA.pdb nehagnanaguru@gmail.com 1> ../dock_file/nehagnanaguru@gmail.com/bd-screen/20260326140103/screen/log.txt 2>../dock_file/nehagnanaguru@gmail.com/bd-screen/20260326140103/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/nehagnanaguru@gmail.com/bd-screen/20260326133027/screen TSA56.pdb nehagnanaguru@gmail.com TCMML2026-03-26 13:18:04
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