Sounds like a perfect application for principal components analysis. Check out Bio3D: http://thegrantlab.org/bio3d/index.php.
Cheers,
Tristan
Tristan Croll
Lecturer
Faculty of Health
School of Biomedical Sciences
Institute of Health and Biomedical Engineering
Queensland University of Technology
60 Musk Ave
Kelvin Grove QLD 4059 Australia
+61 7 3138 6443
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> On 8 Jul 2015, at 11:06 am, Keller, Jacob <[log in to unmask]> wrote:
>
> Is anyone aware of a way to classify large numbers (100s) of conformationally-diverse crystal structures of a single protein (here calmodulin)? Pairwise RMSD matrixes seem possible, but may be complicated since there are two somewhat stable lobes, and the flexible linker in the middle. What I am imagining is a sort of multidimensional tree depicting the relationships in conformation space of the various structures.
>
> I remember something for this called esct or similar, but can't seem to google it.
>
> Any thoughts?
>
> Jacob
>
> *******************************************
> Jacob Pearson Keller, PhD
> Looger Lab/HHMI Janelia Research Campus
> 19700 Helix Dr, Ashburn, VA 20147
> email: [log in to unmask]
> *******************************************
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