Re: [Rdkit-discuss] RDKit Cartridge mol_to_svg parameters

2020-02-13 Thread David Cosgrove
Yes, I'm working on putting that in at the same time as everything else. Dave On Thu, Feb 13, 2020 at 3:54 PM Greg Landrum wrote: > > > On Thu, Feb 13, 2020 at 10:57 AM David Cosgrove < > davidacosgrov...@gmail.com> wrote: > >> >> However, thanks to the generosity of MedChemica, I am currently

Re: [Rdkit-discuss] RDKit Cartridge mol_to_svg parameters

2020-02-13 Thread Greg Landrum
On Thu, Feb 13, 2020 at 10:57 AM David Cosgrove wrote: > > However, thanks to the generosity of MedChemica, I am currently working on > improvements to the drawing code, and have added some extra options to > drawOptions() that will need interpreting in updateDrawerParamsFromJSON. > Whilst doing

Re: [Rdkit-discuss] RDKit Cartridge mol_to_svg parameters

2020-02-13 Thread dmaziuk via Rdkit-discuss
On 2/13/2020 3:56 AM, David Cosgrove wrote: Hi Thomas, I've never used the RDKit cartridge, so have not come across mol_to_svg() before. In the more general case, you can change the bond line width with something like: drawer = rdMolDraw2D.MolDraw2DSVG(200, 200)

Re: [Rdkit-discuss] RDKit Cartridge mol_to_svg parameters

2020-02-13 Thread David Cosgrove
orks. I was using a setting I had from python (0.5) > which got silently ignored. But with a proper value in points size I assume > it works. > > So I suggest to add the bondLineWidth as option to above method. > > Best Regards, > > Thomas > > ----------

Re: [Rdkit-discuss] RDKit Cartridge mol_to_svg parameters

2020-02-13 Thread Thomas Strunz
ts size I assume it works. So I suggest to add the bondLineWidth as option to above method. Best Regards, Thomas Von: Thomas Strunz Gesendet: Donnerstag, 13. Februar 2020 09:09 An: rdkit-discuss@lists.sourceforge.net Betreff: [Rdkit-discuss] RDKit Cartridge mol

[Rdkit-discuss] RDKit Cartridge mol_to_svg parameters

2020-02-13 Thread Thomas Strunz
Hi All, started to play around with the rdkit cartridge and I was wondering how to correctly use the mol_to_svg function. On rdkit homepage I only found this: mol_to_svg(mol,string default ‘’,int default 250, int default 200, string default ‘’) : returns an SVG with a drawing of the molecule.