Re: [Rdkit-discuss] Some of the fingerprint bit rendering code not working

2021-02-19 Thread Greg Landrum
Hi Jan, This is almost certainly being caused by the issue described in #3796: https://github.com/rdkit/rdkit/issues/3796 If you switch to SVG for the output or update to 2020.09.3 or newer things should be fine. I'll try and fix the underlying problem for the 2020.09.5 patch release. -greg On

[Rdkit-discuss] Some of the fingerprint bit rendering code not working

2021-02-19 Thread Jan Halborg Jensen
Some of the fingerprint bit rendering code in this tutorial is no longer working with 2020.09.01 https://rdkit.blogspot.com/2018/10/using-new-fingerprint-bit-rendering-code.html Draw.DrawMorganBit(epinephrine,589,bi) works, but tpls = [(epinephrine,x,bi) for x in fp.GetOnBits()] Draw.DrawMorga