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 molecul
Hey Mohamed,
I am not sure, if this is what you want, but you can import different PEG
molecules from coot's "File-> Get monomer". A list of different length PEGs
three letter codes can be found on page 1278 of this paper:
Naschberger et al., (2016) http://doi.org/10.1107/S205979831601723X.
I th
Dear all
Is it possible to directly build a ligand in real space (in Coot?) and then
generate a SMILES string for restraint generation. I have some unknown blobs in
my density where they look like PEG molecules but these do not really fit the
density (local CC of 0.7).
I am already using Polde
