Re: [phenixbb] to get dihedral angles for a ligand

lig.cif is the cif file from elbow (ideal) that I gave in the refinement. How do I get the model.cif? Maia Nigel Moriarty wrote:

As Patrick correctly stated you should look in the .geo. All the geometry information is written there and it is instructive to look there. There is, however, an alternative if you wish to get more info about a ligand. You can type

phenix.reel lig,cif model.cif

choose "Geometry transfer". You can then compare the ideal and the actual values of all of the restraints listed in the CIF restraints file. You may have to choose the pull-down menu View->List geometry values depending on your version.

Nigel

On Thu, May 13, 2010 at 2:35 PM, Patrick Loll wrote:

...

ooh ooh ooh--I know this!

Look in the .geo file

On 13 May 2010, at 5:34 PM, Maia Cherney wrote:

...

Dear phenixbb, how to get listed all dihedral angles from a ligand after refinement. (Not ideal cif files, but actual dihedral angles).

Maia _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb

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