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[modeller_usage] B value



Dear friends,

I have some questions about the B value, generated from the Modeller along with the homology model. I am not sure how the temperature factor (Beta) is calculated (by MD simulation?). Since many homology modeling program didn't supply the information of B value, or just used it as a temporary space to fill up data, I am curious how serious the Modeller deals with it? Is it a proper data to estimate the flexibility of residues?

Any suggestions or comments are greatly appreicated.

Your sincerely,
Xinhao Ye
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PhD candidate
Department of Biological Systems Engineering,
Virginia Tech
Blacksburg, VA 24061
USA