[phenixbb] Changing the resolution cutoff for water picking
Sam Stampfer
Samuel.Stampfer at tufts.edu
Thu Sep 10 08:58:30 PDT 2009
Hi,
I'm refining a 2.88 resolution structure and would like to pick waters. I
assume the default low_resolution is set to 2.8 Angstroms and so my lower
resolution map is not yielding any waters. How do I change the resolution
cutoff for water picking to be 3.0 Angstroms? I tried adding
"refinement.ordered_solvent.low_resolution=3.0" to my command line arguments
and phenix is reading this, but the refinement crashes about 15 seconds in
with the message:
================== Extract refinement strategy and selections
=================
Sorry: Selection string 'water' results in empty selection (selects no
atoms).
Thanks for your help!
-Sam
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20090910/ab8727aa/attachment-0003.htm>
More information about the phenixbb
mailing list