Hi Roden,

This should be reasonably straightforward with the ISOLDE plugin (https://cxtoolshed.rbvi.ucsf.edu/apps/chimeraxisolde). You'll also want to be working on a machine with a good GPU to make it feasible for a model this size. It'll be easier still with the new release coming in a few weeks, which has some added tools specifically for working with AlphaFold models. But with care you could do it now:

Happy modelling!

-- Tristan


From: ChimeraX-users <chimerax-users-bounces@cgl.ucsf.edu> on behalf of Roden Deng Luo via ChimeraX-users <chimerax-users@cgl.ucsf.edu>
Sent: 23 October 2021 16:30
To: chimerax-users@cgl.ucsf.edu <chimerax-users@cgl.ucsf.edu>
Subject: [chimerax-users] Refine predicted structure by pulling
 
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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