adding gasteiger charges to peptide
sx:16  sy:11  sz:13  
cx:-18.421  cy:-2.140  cz:18.064  
start thread 0<br>
start thread 1<br>
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one step finished!start thread 0<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=2875827546@qq.com&time=20250713104038&rec=AF-B1AJ46-F1-model_v4.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-07-14 13:08:36 25
('\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/20250712125053/screen ../lib/pdbqt/fdaapp_new 100 null none 6.566 0.551 -1.295 9 11 10 IFNG_healthy_c1a1e_unrelaxed_rank_004_alphafold2_multimer_v3_model_1_seed_000.pdb jo.marinkov@icloud.com 1> ../dock_file/Guest/bd-screen/20250712125053/screen/log.txt 2>../dock_file/Guest/bd-screen/20250712125053/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/2875827546@qq.com/bd-screen/20250713104038/screen AF-B1AJ46-F1-model_v4.pdb 2875827546@qq.com TCMML2025-07-13 10:37:04
2025-07-13 10:40:38
2025-07-13 10:38:22
2025-07-13 10:40:38
2025-07-13 10:40:38
2025-07-13 10:40:38

2025-07-13 10:40:38
update status in workRecord success
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