adding gasteiger charges to peptide
正在运行命令： perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/1312357333@qq.com/bd-screen/20250310091841/screen ../lib/pdbqt/test 1 ../dock_file/1312357333@qq.com/bd-screen/20250310091841/screen/ none 148.716 116.309 108.599 27 23 26 6dvw.pdb 1312357333@qq.com 1> ../dock_file/1312357333@qq.com/bd-screen/20250310091841/screen/log.txt 2>../dock_file/1312357333@qq.com/bd-screen/20250310091841/screen/error.txt &
Error in opening ../dock_file/1312357333@qq.com/bd-screen/20250310091841/screen/ifCocrystal.txtsx:27  sy:23  sz:26  
cx:148.716  cy:116.309  cz:108.599  
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../lib/pdbqt/testtest<a href="screenresult_blinddock.php?user=1312357333@qq.com&time=20250310091841&rec=6dvw.pdb&lib=test" target="_blank" class="alert-link text-primary"> View result</a>2025-03-12 20:31:31 87
('\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/19907977835@163.com/bd-screen/20250310092652/screen ../lib/pdbqt/fdaapp_new 100 null none 130.523 161.634 148.635 29 20 16 8as7.pdb 19907977835@163.com 1> ../dock_file/19907977835@163.com/bd-screen/20250310092652/screen/log.txt 2>../dock_file/19907977835@163.com/bd-screen/20250310092652/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/1312357333@qq.com/bd-screen/20250310091841/screen 6dvw.pdb 1312357333@qq.com test2025-03-10 09:18:41
2025-03-10 09:18:41

2025-03-10 09:18:41
update status in workRecord success
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