adding gasteiger charges to peptide
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:LYS344:NZ
sx:13  sy:19  sz:12  
cx:-29.185  cy:126.316  cz:19.616  
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=2413010442@stu.ahmu.edu.cn&time=20250801223513&rec=CAPG1j72.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-08-02 23:26:55 9
('\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/moyeenul@ukm.edu.my/bd-screen/20250802012127/screen ../lib/pdbqt/fdaapp_new 100 null none -53.875 32.664 -18.478 27 17 21 5d41.pdb moyeenul@ukm.edu.my 1> ../dock_file/moyeenul@ukm.edu.my/bd-screen/20250802012127/screen/log.txt 2>../dock_file/moyeenul@ukm.edu.my/bd-screen/20250802012127/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/2413010442@stu.ahmu.edu.cn/bd-screen/20250801223513/screen CAPG1j72.pdb 2413010442@stu.ahmu.edu.cn TCMML2025-08-01 14:54:01
2025-08-01 22:35:13
2025-08-01 22:35:13
2025-08-01 22:35:13

2025-08-01 22:35:13
update status in workRecord success
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