' ' apparently composed of not std residues. Deleting adding gasteiger charges to peptide sx:16 sy:25 sz:34.5 cx:145 cy:110 cz:162.9 start thread 0
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one step finished!start thread 0
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../lib/pdbqt/fdaapp_newFDA-approved View result2025-03-12 20:29:58 89 ('\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/20250310091859/screen ../lib/pdbqt/fdaapp_new 10 null none 119.006 162.747 138.032 24 22 14 8as7.pdb 19907977835@163.com 1> ../dock_file/19907977835@163.com/bd-screen/20250310091859/screen/log.txt 2>../dock_file/19907977835@163.com/bd-screen/20250310091859/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/cl111@rice.edu/bd-screen/20250309174101/screen 8v5rpolgAonly.pdb cl111@rice.edu FDA-approved2025-02-12 17:14:06 2025-03-09 17:41:01 2025-02-12 18:37:24 2025-03-09 17:41:01 2025-02-27 21:59:51 2025-03-09 17:41:01 2025-02-27 23:06:33 2025-03-09 17:41:01 2025-02-28 01:34:51 2025-03-09 17:41:01 2025-02-28 02:20:31 2025-03-09 17:41:01 2025-03-04 00:00:42 2025-03-09 17:41:01 2025-03-09 17:41:01 2025-03-09 17:41:01 2025-03-09 17:41:01 update status in workRecord success 邮件发送成功