See: http://www.daylight.com/dayhtml/doc/theory/theory.smarts.html
Look at the first section, "4.1 SMARTS Atomic Primitives" section. Both "x" and "X" are valid, but not with spaces. Craig On Tue, Nov 20, 2018 at 9:21 AM Leif Peterson < outlook_ea1c3adb71ba7...@outlook.com> wrote: > I am using OB and SmartsPattern fetching in 2D compounds, and need to > fetch a published SMARTS which looks like the following: > > [CX4;H]([#6 × 4,c,F,Cl,Br,I])([#6 × 4,c,F,Cl,Br,I])[#6 × 4,c,F,Cl,Br,I] > > and there are actually spaces around the × symbols between the 6 and 4. > > Question is, should I change this multiplication notation to a lower case > "x", delete the spaces, or really use some sort of ASCII symbol which > represents multiplication? I didn't see a multiplication symbol anywhere in > the Daylight SMARTS description. > > > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > -- --------------------------------- Craig A. James Chief Technology Officer eMolecules, Inc. ---------------------------------
_______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
