[phenixbb] cif files
pafonine at lbl.gov
Mon Jan 23 15:07:34 PST 2012
can you explain what exactly the issue is with the elbow generated CIF
file in your specific situation?
Yes, SMILES string is a better input for elbow than PDB.
On 1/22/12 6:35 PM, Shya Biswas wrote:
> Hi all,
> It appears that the cif file generated from prodrg (REFMAC format) is
> not recognised by phenix during refinement. Did anyone have similar
> issues or i am doing something wrong? somehow the geometries obtained
> from elbow are not right for my ligand so had to use prodrg to
> generate cif files.
More information about the phenixbb