[phenixbb] unit cell discrepancies

Nathaniel Echols nechols at lbl.gov
Wed Apr 20 22:35:23 PDT 2011


On Wed, Apr 20, 2011 at 9:19 PM, Michael Hothorn <michael at hothorn.de> wrote:
> find attached the requested output.
>
> CRYST card from refined pdb file
> CRYST1  175.170   67.236  119.246  90.00 121.42  90.00 C 1 2 1
>
> [phenix.mtz.dump:]
>  Unit cell: (175.093, 67.251, 119.05, 90, 121.55, 90)

We still need to know the CRYST1 card in the input PDB file.  I'm
pretty sure you're going to find it's the same as the output PDB,
however.

-Nat


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