To answer your question...
On 10/04/17 08:44, Mohamed Noor wrote:
>
> Is it possible to directly build a ligand in real space (in Coot?) and then generate a SMILES string for restraint generation.
I think that you are describing a 3D editor. It is not possible to do
this in Coot (Coot's molecular editor is 2D). If you want to use Coot I
would do as Johannes says, use File -> Get Monomer.
PG4 (first choice), PGE, PEG, PE8. These are fun to refine in Coot, they
wriggle around.
I think that SMILES is a bit of side-issue.
>
> I am already using Polder and omit maps that confirm these are not noise.
>
:-)
Paul.
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