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MSE: The Metal-binding Site Evaluator. Performs a full analysis on a
user submitted PDB structure, generating a complete report of the
metal-binding sites, their geometry, first and second shell ligands,
hydrogen-bond interactions, etc. Uses our MSIT java application.
Analysis of 2sod.pdb
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ClusterGeom: Java application that performs a geometrical analysis of
iron-sulfur clusters ([4Fe4S] and [3Fe4S]). Generates parameters and
projections that can be correlated with cluster distortion from an ideal
geometry.
[4Fe4S] 2D projection
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Expansion of the analytical tools, to include: Chi angle distributions and
2D comparisons, Bond angle distributions, Liganding pattern and parameter
distribution correlations, etc.
Chi1-Chi2 distribution. All Histidines vs Zn(His)3X
