This is fixed in r5695 (B-factors of side chain atoms having default B
that is).
Setting (refining?!) B-factors more intelligently is on the list, but
requires a bit more sophistication than just adapting it from
neighbouring residues (who says these are right(ish)?!).
B
On 16/05/2015
Thanks for fixing that Bernhard!
I agree that maybe setting the B-factor based on adjacent residues might be a
bit risky, so Eleanor's suggestion of setting it based on the average B for the
molecule or chain sounds like a good interim solution. That value is unlikely
to be wrong, at least
Hi all,
I have a structure that we have almost completed (2.66 A ) and the space group
is P1, R factor is around 0.20940.25. When I turn on cell symmetry to see
related symmetry molecules, there are cases that some related molecules can be
seen and a specific case where there is an
Oops, meant to say its 2 molecules per asymmetric unit
J
From: Mailing list for users of COOT Crystallographic Software
[mailto:COOT@JISCMAIL.AC.UK] On Behalf Of Joel Tyndall
Sent: Monday, 18 May 2015 4:11 p.m.
To: COOT@JISCMAIL.AC.UK
Subject: symmetry related molecules
Hi all,
I have a
At least it would be good to set new residues to the overall B value.
Eleanor
On 17 May 2015 at 17:57, Bernhard Lohkamp bernhard.lohk...@ki.se wrote:
This is fixed in r5695 (B-factors of side chain atoms having default B
that is).
Setting (refining?!) B-factors more intelligently is on the
