Simulated water models with Apoferritin for use in cryo-EM image simulations with amorphous ice

(2021) Simulated water models with Apoferritin for use in cryo-EM image simulations with amorphous ice. Zenodo doi:10.5281/zenodo.4415836 [Dataset]

Abstract

This dataset contains the atomic coordinates of several water models produced using the NAMD molecular dynamics software. The contents of each file is listed below. water_81_coords.pdb - water only cubic box side length 81A water_243_coords.pdb - water only cubic box side length 243A water_486_coords.pdb - water only cubic box side length 486A water_645_coords.pdb - water only cubic box side length 645A unconstrained_apo_298_coords.pdb - water and Apoferritin where Apoferritin atoms are unconstrained constrained_apo_298_coords.pdb - water and Apoferritin where Apoferritin atoms are constrained 77_constrained_apo_scaled.pdb - water and constrained Apoferritin scaled to lower water density 77_unconstrained_apo_scaled.pdb - water and unconstrained Apoferritin scaled to lower water density

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Contributors

Contributor: Jonathan Essex

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