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To follow on, it would appear two distinct scenarios can be discussed here: i) a complex with/without ligand, i.e., multiple DEFINED conformations; and ii) an inherently flexible molecule with a CONTINUUM of different conformations (which is what I'm dealing with in EMAN).

I assume RELION can handle both scenarios. Delving into the RELION tutorial is high on my to-do list - is there an opportunity to explore the conformational heterogeneity issue in the tutorial?

Regards,
Scott



Hi,
A similar question has been asked a few days ago.
I copy the thread below but you can also search archives on the ccpem mailing list website: https://www.jiscmail.ac.uk/cgi-bin/webadmin?A0=ccpem

Ludo
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Hi all,


When we are talking about using the 3D classification to distinguish the complex with/without ligand, could we introduce two different initial model (with/without ligand) as references to relion 3D classification?




-----Original Message-----
From: Collaborative Computational Project in Electron cryo-Microscopy [mailto:[log in to unmask]] On Behalf Of Molugu, Sudheer kumar
Sent: Friday, 21 November 2014 12:31 PM
To: [log in to unmask]
Subject: [ccpem] multi model refinements in RELION

Hello,

I was wondering if RELION can handle multimodel refinements. My data set is heterogeneous and a mixture of three conformations. I am currently using multirefine program in EMAN for my 3D model refinements. I would be glad to use RELION if there is an inbuilt algorithm for refining more than one model paralellely from the same raw data set. 

Thank you very much for your time.

Best,
Sudheer Molugu Ph.D
cryoEM Facility Manager
Dept. of Chemistry
The University of Texas at El Paso