adding gasteiger charges to peptide
sx:22  sy:30  sz:30  
cx:-10.267  cy:15.838  cz:9.142  
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../lib/pdbqt/testtest<a href="screenresult_blinddock.php?user=aupmanyuiitd@gmail.com&time=20250326153904&rec=test_8c6fa_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb&lib=test" target="_blank" class="alert-link text-primary"> View result</a>2025-04-01 09:58:32 94
('\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/likun323747@163.com/bd-screen/20250326183142/screen ../lib/pdbqt/fdaapp_new 100 ../dock_file/likun323747@163.com/bd-screen/20250326183142/screen/ none 27.251 -23.847 3.065 6 6 11 5abw.pdb likun323747@163.com 1> ../dock_file/likun323747@163.com/bd-screen/20250326183142/screen/log.txt 2>../dock_file/likun323747@163.com/bd-screen/20250326183142/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/aupmanyuiitd@gmail.com/bd-screen/20250326153904/screen test_8c6fa_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000.pdb aupmanyuiitd@gmail.com test2025-03-26 15:39:04
2025-03-26 15:39:04

2025-03-26 15:39:04
update status in workRecord success
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