2. Polymake

Python code for taking a pdb ‘building block’ file and assembling it into a polyhedra. Modelling restraints, such as enforcing a minimum distances between two points are implemented. Modified fortran code is provided for rapidly calculating PA collision cross section values, to enable models to be compared to experimental collision cross section data.

The polydispersity of αB-crystallin is rationalised by an interconverting polyhedral architecture
Baldwin AJ, Lioe H, Hilton GR, Baker LA, Rubinstein JL, Kay LE, Benesch JLP
Structure (2011), 19, 1855-63
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