Re: [Rdkit-discuss] SVG atom coordinate in C++

Forget i found it getDrawCoords best regards Dr. Guillaume GODIN Project Manager Innovation CORPORATE R DIVISION DIRECT LINE +41 (0)22 780 3645 MOBILE +41 (0)79 536 1039 Firmenich SA RUE DES JEUNES 1 | CASE POSTALE 239 | CH-1211 GENEVE 8 De : Guillaume

Re: [Rdkit-discuss] Setting location of wedge/hashes

Agreed. If you set the bond wedging explicitly it should be preserved. Here's the issue, which includes links to the commits with the fix (that's now checked in): https://github.com/rdkit/rdkit/issues/611 -greg On Mon, Sep 7, 2015 at 1:10 PM, Noel O'Boyle wrote: > Hey

Re: [Rdkit-discuss] Setting location of wedge/hashes

Great. And as regards what the bond direction means...? It tells you whether it's a wedge or dash but doesn't seem to specify which end of the bond is the thin end. Is the BeginAtom of the bond always the thin end, or is any attached chiral atom always the thin end? - Noel On 10 September 2015

[Rdkit-discuss] SVG atom coordinate in C++

Dear all, How to get the absolute atom coordinate in RDDepict::compute2DCoords (c++) ? This function drawer.getAtomCoords return the x,y position based on an origin (first atom), but we don't have the link between this and the image origin. best regards, Dr. Guillaume GODIN Project Manager