Wrong geometry for Porphyrins

4 views
Skip to first unread message

jkrum...@gmail.com

unread,
Nov 27, 2019, 11:03:21 AM11/27/19
to indigo-bugs
Hi,

i'm trying around with indigo and noticed that porphyrins are not rendered properly.


using the following code
Indigo i = new Indigo();
            i
.setOption("aromaticity-model", "generic");
           
var io = i.loadMolecule("N1C2=C(C=3NC(C(=C4N=C(C(=C5N=C(C(=C1C=C2)C6=CC=NC=C6)C=C5)C7=CC=NC=C7)C=C4)C8=CC=NC=C8)=CC3)C9=CC=NC=C9");
            io
.dearomatize();
            io
.layout();
           
IndigoRenderer r = new IndigoRenderer(i);
            r
.renderToFile(io, "j.png");


i.png
j.png
Reply all
Reply to author
Forward
0 new messages