adding gasteiger charges to peptide
sx:7  sy:6  sz:3  
cx:3.936  cy:1.365  cz:-5.126  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=zhaoqy1216@163.com&time=20260425164537&rec=CR1-AF-A0A346RCT4-F1-model_v6.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-04-26 09:53:00 13
('\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/khalilsarah2002@gmail.com/bd-screen/20260425143455/screen ../lib/pdbqt/fdaapp_new 50 null none 122.352 169.192 97.595 16 20 18 CALCR_cleantel.pdb khalilsarah2002@gmail.com 1> ../dock_file/khalilsarah2002@gmail.com/bd-screen/20260425143455/screen/log.txt 2>../dock_file/khalilsarah2002@gmail.com/bd-screen/20260425143455/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/zhaoqy1216@163.com/bd-screen/20260425164537/screen CR1-AF-A0A346RCT4-F1-model_v6.pdb zhaoqy1216@163.com FDA-approved2026-04-25 16:40:42
2026-04-25 16:45:37
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2026-04-25 16:45:37
2026-04-25 16:45:37
2026-04-25 16:45:37

2026-04-25 16:45:37
update status in workRecord success
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