adding gasteiger charges to peptide
sx:8  sy:5  sz:4  
cx:-23.071  cy:-11.583  cz:-1.008  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=976074454@qq.com&time=20250508171232&rec=test_f73c7_unrelaxed_rank_002_alphafold2_ptm_model_4_seed_000.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-05-09 19:15:55 83
('\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/976074454@qq.com/bd-screen/20250508172605/screen ../lib/pdbqt/fdaapp_new 100 null none 23.456 30.522 -18.240 4 3 2 test_f73c7_unrelaxed_rank_003_alphafold2_ptm_model_5_seed_000.pdb 976074454@qq.com 1> ../dock_file/976074454@qq.com/bd-screen/20250508172605/screen/log.txt 2>../dock_file/976074454@qq.com/bd-screen/20250508172605/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/976074454@qq.com/bd-screen/20250508171232/screen test_f73c7_unrelaxed_rank_002_alphafold2_ptm_model_4_seed_000.pdb 976074454@qq.com FDA-approved2025-05-08 17:08:23
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