[phenixbb] Phenix elbow taxol

Georg Mlynek georg.mlynek at univie.ac.at
Sun Mar 31 01:43:07 PDT 2019


Dear Ahmad, one way is to use the smiles string. If taxol if also named 
Paclitaxel then here it is:

https://pubchem.ncbi.nlm.nih.gov/compound/paclitaxel#section=Canonical-SMILES

Then just watch this video on phenix.elbow

https://www.youtube.com/watch?v=8qVYTUVKlbQ

Br, Georg.


On 31.03.19 08:08, Ahmad Khalifa wrote:
> How can I generate restraint files for taxol?
>
> I attached my taxol.pdb for reference.
>
> Thanks.
>
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