Hi all, is there a way to generate an image with all atoms (incl. hydrogens) and their indexes drawn?
I tried several variations along the lines of rdkit.Chem.Draw.MolToFile( mol, "out.svg" ) and 1. the output either has atom numbers (with includeAtomNumbers = True) or atom symbols (without includeAtomNumbers), but not both. I tried a couple of different atomNumberOffset settings in case the number is written on top of the symbol, but they didn't do anything. 2. I didn't find an option to draw all atoms (all hydrogens, all backbone carbons, etc.) anywhere. Does that exist? 3. size = (300,300) makes a 300x300 rectangle with a molecule in the middle. Size = (800,800) seems to make a 800x800 rectangle with the same size molecule drawing in the middle. Setting fitImage = True doesn't seem to do anything. Is there a way to have the molecule fill the entire rectangle? Thanks in advance, -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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