Hi Tim, That's a nice one.
For people not familiar with the problem: The RDKit coordinate generation prefers aligning molecules with the X axis; this can lead to "sub-optimal" drawings if your drawing canvas is taller than it is wide. One easy solution is to just generate coordinates as usual and then rotate them to favor the Y axis if your canvas is larger along Y. Here's a gist showing how to do that: https://gist.github.com/greglandrum/12b793b240d27e3c0899c9c6c62d4f30 -greg On Fri, Feb 11, 2022 at 10:20 AM Tim Dudgeon <tdudgeon...@gmail.com> wrote: > At Dave Cosgrove's suggestion I raise this as a new topic, though it was > touched on briefly recently. > > I'd like to know if it's possible to depict a molecule in a way that takes > into account the dimensions of the box it will appear in. In my case I have > a rectangle that is short and wide (aspect ratio of 1:3) and the molecules > are typically compressed because of the lack of available height. So is it > possible to make the layout engine aware of the bounds it has available > (e.g. in my example short and wide)? > > Thanks > Tim > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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