[phenixbb] Phenix elbow taxol

[r.joosten at nki.nl]

Before you make restraints yourself, check whether it is already in the dictionary. The name should be TA1 (http://ligand-expo.rcsb.org/reports/T/TA1/index.html).

Cheers,
Robbie

On 31 Mar 2019 10:45, Georg Mlynek <georg.mlynek at univie.ac.at> wrote:

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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