Clearly, the code can change without anyone knowing!
For this reason, and others, I try to remember to do it manually and to
check. In cases of pseudo-symmetry, for example P21 with a 90.2 deg
beta angle and high tNCS, the software may or may not decide it should
pick free flags in the P222 s
Hello,
I just would guess that you have twinning and disorder of the 5th subunit
around the 2-fold axis at the same time.
The twinning in P3221 with operators HKL and KH-L (involving the full unit cell
contents) is required to explain the observed twinning fraction whereas only
the disorder ca
On Mon, Aug 30, 2021 at 08:44:03PM +0100, Kay Diederichs wrote:
> The following sentences (which are somewhat difficult to understand
> for me) in https://www.ccp4.ac.uk/html/freerflag.html appear to
> document that: "The FreeR_flag is randomly and uniformly distributed
> reflexion-by-reflexion, bu
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Dear Herman,
What you write "Or is the disordered chain enclosed in the 4
non-disordered chains, with only crystal contacts between the
non-disordered chains? " seems to be the case. The 4 chains form a 3221
lattice with a "pocket" on the 2-fold. One domain of the protein fits
nicely into thi
Dear Peer,
I must admit that from the beginning I was not happy to have 5 chains
“twinned”, while in fact only one chain is “twinned”, e.g. on a special
position. However, a twin fraction different from 0.5 suggested the existence
of twin domains and not a random distribution of A and B conform
