This is quite straightforward in any package with a reasonable scripting
interface. In ChimeraX, for example:
-load your model
-make your selection
(https://www.rbvi.ucsf.edu/chimerax/docs/user/selection.html)
-open the shell (Tools/General/Shell), and in it, type:
from chimerax.core.atomic import selected_atoms
sel = selected_atoms(session)
sel.bfactors.mean()
Hope this helps,
Tristan
On 2017-12-20 15:02, Amir Khan wrote:
Dear all,
Sorry for naive CCP4 question, is there a simple way to calculate
average B-factors (side chain, backbone, all)
for only part of a model, such as a domain, loop, etc…
Thanks,
Amir
