adding gasteiger charges to peptide
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS44:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS331:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS359:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS383:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS787:NE2
sx:25  sy:23  sz:27  
cx:-7.905  cy:5.339  cz:-10.388  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=2289159742@qq.com&time=20250322131622&rec=ZBTB4%E5%88%86%E5%AD%90%E7%BB%93%E6%9E%84.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-03-26 22:01:08 98
('\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/17853602739@163.com/bd-screen/20250322135204/screen ../lib/pdbqt/TCMML_pdbqt 100 null none -7.905 5.339 -10.388 25 23 27 ZBTB4%E5%88%86%E5%AD%90%E7%BB%93%E6%9E%84.pdb 17853602739@163.com 1> ../dock_file/17853602739@163.com/bd-screen/20250322135204/screen/log.txt 2>../dock_file/17853602739@163.com/bd-screen/20250322135204/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/2289159742@qq.com/bd-screen/20250322131622/screen ZBTB4%E5%88%86%E5%AD%90%E7%BB%93%E6%9E%84.pdb 2289159742@qq.com FDA-approved2025-03-18 11:32:33
2025-03-22 13:16:22
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2025-03-22 13:16:22
2025-03-22 13:16:22

2025-03-22 13:16:22
update status in workRecord success
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