I'm not sure why you want to do that. If you wish to look at a map or
poly-Ala trace from SHELXE, just read the .pdb and then .phs files into
Coot directly. If you want to use them to make pictures with PYMOL, use
Tim Gruene's SHELX2map. For further information please go to the SHELX
homepage (Google knows where it is).
George
On 11/14/2013 10:09 PM, Yarrow Madrona wrote:
I'm sorry,
I have not used shelx before and didn't realize in my last post that the
anamolous data is kept separate. I am planning on converting both the
mysad.phs and mysad.pha to mtz files and then merge them. However, I am
not sure of the column lables in mysad.pha. Does anyone know how to get
this info?
-Yarrow
--
Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of Goettingen,
Tammannstr. 4,
D37077 Goettingen, Germany
Tel. +49-551-39-33021 or -33068
Fax. +49-551-39-22582
