Hi Katja,
a possible option:
from main PHENIX GUI select "Comprehensive validation". For example, it
will do:
- all Molprobity checks;
- draw POLYGON picture (Acta Cryst. D65, 297-300 (2009) Crystallographic
model quality at a glance.);
- show all kinds of stereochenistry rmsds;
- real-space correlation coefficient computed per residue or atom,
.... and more.
Pavel.
On 10/21/09 6:20 AM, Katja Schleider wrote:
Hi everybody,
I solved my first crystalstructure and now want to publish it. But how
do I know the structure is ready for publication and deposition in the
pdb. We can explain our theory with the structure but which factors I
have to regard to publish nothing wrong or bad. Can anybody tell how
many outliers are allowed as long as they are in a well defined
density? I found several validation tools in coot, but I would like to
be sure on what I have to emphasize.
Thank you very much in advance,
Katja
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