Re: [Rdkit-discuss] How to highligh a structure but avoid intersecting edges at the same time?

2017-09-15 Thread Greg Landrum
At the moment there's not a solution to that problem that I'm aware of. The constraints imposed by the alignment to the pattern end up confusing the rest of the coordinate generation code. -greg On Fri, Sep 15, 2017 at 4:08 PM, Michał Nowotka wrote: > Hi, > > Thanks for all

[Rdkit-discuss] How to highligh a structure but avoid intersecting edges at the same time?

2017-09-15 Thread Michał Nowotka
Hi, Thanks for all the help with 'forcing' molecule highlighing. I have a different (hopefully the last) problem now. When I align a structure to the pattern and highlight it I'm getting the attached result. The substructure is correctly aligned and highlighted but the other part intersects with