I am not sure if there is any way of avoiding model bias if the
coordinates are included regardless of whether there is twinning or not
- my preferred method is to set the occupancies of suspect regions to
0.00 then do refinement of the better parts of the model and then check
maps again and rebuild as the maps indicate..
Eleanor
Walter Kim wrote:
Hi again,
Thanks for your insight into refinement tools for twinned data. I have a
couple of twinned data sets that are nearly perfectly pseudomerohedrally
twinned. I've begun to refine my data in Refmac5 (using the automated twin
refinement), CNS (using the twin inputs) and Shelxl; I'm testing out the
different refinement programs to evaluate the best strategy for the
refinement. However, I would like to start making maps.
1. Refmac5 - outputs an mtz that is model-biased
2. CNS - maps made via model_map_twin.inp are poor
3. Shelxl - the maps generated in coot from the.fcf file are poor
Are there better ways to make cleaner maps with my twinnned data that are
less model-biased that I can try to build into? Should I detwin the data and
make maps from that (but continue to refine against the twinned data)?
Thanks,
Walter
