在用Open Babel 2.3.2 documentation的Substructure and similarity searching ...
请问:(问题在下列网址中)file:///C:\DOCUME~1\ADMINI~1\LOCALS~1\Temp\%W@GJ$ACOF(TYDYECOKVDYB.pnghttp://open-babel.readthedocs.org/en/latest/GUITutorial/Searching.html
在用Open Babel 2.3.2 documentation的Substructure and similarity searching a large dataset时,当做到
1.Set up a conversion from FS to SMILES with 1000_chembl.fs as the input file. Tick the box for Output below only and Display in Firefox
2.Enter Nc1ccc(N)cc1 into the box Convert only if match SMARTS or mol in file
3.Click CONVERT
时,为什么转化出来的FS文件时OK,还显示0个分子转化?
file:///C:\Documents and Settings\Administrator\Application Data\Tencent\Users\86384370\QQ\WinTemp\RichOle\ZFE5MZ56]WL3P2.jpg
实在整不明白了,望指点
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