adding gasteiger charges to peptide
sx:21  sy:14  sz:17  
cx:-6.596  cy:-10.436  cz:-24.757  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=Guest&time=20250617211302&rec=HSP90B-6n8y.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-06-19 13:15:26 82
('\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/20250617180728/screen ../lib/pdbqt/fdaapp_new 100 null none 216.240 -94.149 154.322 30 30 30 SwissModel.pdb eiltonsousalopes@gmail.com 1> ../dock_file/Guest/bd-screen/20250617180728/screen/log.txt 2>../dock_file/Guest/bd-screen/20250617180728/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250617211302/screen HSP90B-6n8y.pdb 3062109904@qq.com FDA-approved2025-05-20 13:33:41
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