[chimerax-users] Refine predicted structure by pulling

Roden Deng Luo deng.luo at kaust.edu.sa
Sat Oct 23 08:30:48 PDT 2021


Dear ChimeraX Users,

There is this AlphaFold prediction: https://alphafold.ebi.ac.uk/entry/P02549.
And we know this protein should be more or less in a rod-like shape rather
than a globular shape: https://en.wikipedia.org/wiki/Spectrin and related
literature such as https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3218374/. I
wonder is there a way that we can pull the two ends of the predicted
structure while maintaining the secondary structures, mostly alpha-helices
in this case, inside ChimeraX?

I am quite new to ChimeraX. I understand this is more fitted to an MD
simulation. But I got to know there are options to fit a PDB to a density
map. So I wondered if this can be achieved in ChimeraX.

Best,
Roden

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