Dear Jessica,
Thank you for this positive news on electron diffraction on small molecules. A
point which is still not clear to me: is it possible to determine the absolute
configuration with electron diffraction? Some claim that it cannot be done,
others claim that it can be done using
There are cases where cell dimensions vary in a very real way. I have a
system in which the unit cell volume can differ by more than 10%. When I
first explored this system in the long ago times, before
cryo-crystallography was a thing, the unit cell dimensions would change
during data
I have a related question. Why calculating/reporting standard deviation for
cell constants is not now mandatory in protein crystallography. Is there
any reason for that (e.g. difficult to calculate or error in calculation).
Now mmcif being the official format and there is mmcif category for esd,
You can change the cell dimensions without spoiling the map fit too much,
but obviously you need to convert deposited orthogonal coordinates back to
fractional using the given SCALEi matrix, than re-orthogonalise with the
modified cell..
Eleanor
On Thu, 16 Jul 2020 at 13:01, Schreuder, Herman /DE
My guess is that the model no longer superimposed well onto the electron
density map, which should be easy to spot.
Best,
Herman
-Ursprüngliche Nachricht-
Von: CCP4 bulletin board Im Auftrag von Frances C.
Bernstein
Gesendet: Donnerstag, 16. Juli 2020 13:44
An: CCP4BB@JISCMAIL.AC.UK
