[phenixbb] cif files

Pavel Afonine pafonine at lbl.gov
Mon Jan 23 15:07:34 PST 2012

Hi Shya,

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.
> thanks,
> Shya

More information about the phenixbb mailing list