Well since someone suggested hacking B factors and using Pymol... not using
RDKit but
CCCOCC |$_AV:;;;3.14$|
AV=Atom Value, round tripped through MOLfile and ChemAxon extended SMILES.
[image: image.png]
Live Depiction:
On 03/11/2018 04:27, Greg Landrum wrote:
Hi Eric,
On Fri, Nov 2, 2018 at 2:00 PM Eric Jonas wrote:
Hello! I'm trying to figure out if there's any known or sane way to
automatically plot numerical values adjacent to atoms using the
rdkit drawing machinery. Ideally I'd like to annotate certain
Hi Eric,
On Fri, Nov 2, 2018 at 2:00 PM Eric Jonas wrote:
> Hello! I'm trying to figure out if there's any known or sane way to
> automatically plot numerical values adjacent to atoms using the rdkit
> drawing machinery. Ideally I'd like to annotate certain atoms
> programmatically with values.
On 11/02/2018 07:59 AM, Eric Jonas wrote:
> Hello! I'm trying to figure out if there's any known or sane way to
> automatically plot numerical values adjacent to atoms using the rdkit
> drawing machinery. Ideally I'd like to annotate certain atoms
> programmatically with values.
This draws atom
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