Re: [Rdkit-discuss] Molecule representation

On 03/07/2017 05:42 PM, Markus Metz wrote: > Dear Stephane: > Thank you very much. > I will give it a try. An alternative: import os import sys import time import threading PYMOL_PATH = "/SOME/PLACE/lib64/python" sys.path.append( PYMOL_PATH ) import pymol def make_image( infile, outfile ) :

Re: [Rdkit-discuss] Molecule representation

HI Markus, On Tue, Mar 7, 2017 at 7:00 PM, Markus Metz wrote: > > I am wondering if it is possible to depict 2D structures as ball and stick. > I have some very simple fragments and I would like to use them for axis > annotation in a heatmap. > Currently I generate the png

Re: [Rdkit-discuss] Molecule representation

Dear Stephane: Thank you very much. I will give it a try. Cheers, Markus On Tue, Mar 7, 2017 at 3:39 PM, Stéphane Téletchéa < stephane.teletc...@univ-nantes.fr> wrote: > Le 07/03/2017 à 19:00, Markus Metz a écrit : > > Does anybody have a suggestion how I might change the molecular > >

[Rdkit-discuss] Molecule representation

Dear all: I am wondering if it is possible to depict 2D structures as ball and stick. I have some very simple fragments and I would like to use them for axis annotation in a heatmap. Currently I generate the png files via MolToFile and read them in again. Changing size did not help. I also tried