Multi-FindCore Toolbox 1.0

Date Added: August 24, 2013 | Visits: 240

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This toolbox extends the FindCore toolbox by first clustering the input set of structural models (create_multiensemble) and then superimposing each cluster separately. This allows for appropriate assessment of the uncertainty or flexibility in protein structure when more than one inherent conformation is present. A routine for Boltzmann sampling is also included. This toolbox is of potential utility in analyzing simulated annealing results and trajectories obtained from other enhanced sampling approaches.

Requirements: No special requirements

Platforms: Matlab

Keyword: Analyzing, Boltzmann, Conformation, Included, Potential, Present, Routine, Sampling, Simulated, Utility

Users rating: 0/10

License: Shareware

Size: 10 KB

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