Name: PDB_Ion_Survey
Owner: Becksteinlab
Description: A survey of ion coordination geometries in proteins.
Created: 2015-11-24 00:14:50.0
Updated: 2018-05-21 16:38:26.0
Pushed: 2018-05-21 16:38:25.0
Size: 1589
Language: Python
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As part of the BioXFEL Ed Scientific Villages at ASU program, @kaceyreidy is building a reusable data acquisition and analysis pipeline to characterize the interactions between ions and proteins.
The input data are crystal structures from the Protein Databank. MDAnalysis is used to analyze the data. The initial focus is on a statistical analysis of the coordination numbers of ions, in particular oxygen-cation interactions.