Re: [Rdkit-discuss] problem saving rdSubstructLibrary.

2022-03-13 Thread Patrick Walters
Thanks for the quick response, Greg. I was able to use the method described in your blog post to pickle the database. Pat On Sun, Mar 13, 2022 at 1:26 AM Greg Landrum wrote: > Hi Pat,

Re: [Rdkit-discuss] problem saving rdSubstructLibrary.

2022-03-12 Thread Greg Landrum
Hi Pat, I don't think you're doing anything wrong. This looks like a bug in the RDKit. It seems to be connected to the PatternHolder... I will look into it. -greg On Sat, Mar 12, 2022 at 10:26 PM Patrick Walters wrote: > Hi All, > > I'd appreciate any insight on what I'm doing wrong. I'm tr

[Rdkit-discuss] problem saving rdSubstructLibrary.

2022-03-12 Thread Patrick Walters
Hi All, I'd appreciate any insight on what I'm doing wrong. I'm trying to save an rdSubstructLibrary. with library.toStream(). When library is empty I can save the library with library.toStream(), however when I've added molecule to the library, I get this error message. UnicodeDecodeError: 'ut