Multi-FindCore Toolbox
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.
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David Snyder (2024). Multi-FindCore Toolbox (https://www.mathworks.com/matlabcentral/fileexchange/31842-multi-findcore-toolbox), MATLAB Central File Exchange. Recuperato .
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multifindcore_toolbox_v1.0/
Versione | Pubblicato | Note della release | |
---|---|---|---|
1.0.0.0 |