Re: [Rdkit-discuss] Stop bond highlights

2017-11-27 Thread Nicholas Firth
Hi Greg, That's perfect. Thank you! Cheers, Nick On Fri, 24 Nov 2017, 16:40 Greg Landrum, wrote: > Hi Nick, > > When you import IPythonConsole it monkey patches the substructure function > so that it saves info about the results when you do a substructure search > on a molecule. > The data mem

Re: [Rdkit-discuss] Stop bond highlights

2017-11-24 Thread Greg Landrum
Hi Nick, When you import IPythonConsole it monkey patches the substructure function so that it saves info about the results when you do a substructure search on a molecule. The data member is called __sssAtoms, and if you delete that you should no longer get the coloring: Heres a bit of demo: In

[Rdkit-discuss] Stop bond highlights

2017-11-23 Thread Nicholas Firth
Howdy RDKitters, Been a while since I used this list, so forgive me if my question is silly. I'm seeing some weird behaviour from drawing molecules. I've got some wrapper classes that I'm using to write some de novo design code, which involves fragmenting molecules, and I've obviously been fairly