In the meantime, adding something like this to whatever custom python
extensions file you use seems to do the trick:
def set_new_atom_b_fac_to_mean():
mol_id=active_residue()[0]
mean_b=average_temperature_factor(mol_id)
set_default_temperature_factor_for_new_atoms(mean_b)
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
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
Also, on the same topic - the default B-factor for new atoms only seems to
apply to add terminal residue... when a new sidechain is added, it defaults to
a B-factor of 20.
I think the same parameter should probably apply in both instances?
Oliver
