Re: [Rdkit-discuss] Unhashed info in hashed fingerprint

I've never tried it. What would be the motivation for doing so? This would, in general, increase similarity values for molecules, but it will also likely leads to more bit collisions in the fingerprints. Academic interest mainly. I wonder whether the distribution of similarities would just

[Rdkit-discuss] A case of the jaggies

Hi, Why are the structure images in the RDKit documentation nice and smooth but mine have the jaggies? What do I have to do to my PIL (or something?) for such smoothness? Thanks, Paul. -- Want fast and easy access

Re: [Rdkit-discuss] A case of the jaggies

Hi Paul, On Mon, Jul 21, 2014 at 3:36 PM, Paul Emsley pems...@mrc-lmb.cam.ac.uk wrote: Why are the structure images in the RDKit documentation nice and smooth but mine have the jaggies? The jagged lines are because the RDKit is using its fall-back mechanism for generating PNGs. To get

Re: [Rdkit-discuss] A case of the jaggies

On 21/07/14 17:22, Greg Landrum wrote: Hi Paul, On Mon, Jul 21, 2014 at 3:36 PM, Paul Emsley pems...@mrc-lmb.cam.ac.uk mailto:pems...@mrc-lmb.cam.ac.uk wrote: Why are the structure images in the RDKit documentation nice and smooth but mine have the jaggies? The jagged lines