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University of New Hampshire
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
a logistics and persistence engine for the analysis of molecular dynamics trajectories
An attempt at making a special subtype of MDAnalysis.Universe which allows a mapping scheme to be applied on the fly to an atomistic trajectory.
Reading cif files with MDAnalysis
988 contributions in the last year
Changes made in this Pull Request:
SphericalZone and SphericalLayer no longer shift atoms to inside
primary unit cell when calculating…
This is something that I should have brought up in the initial PR, but I think it'd be clearer if
capped_distance (@ayushsuhane 's new fast distanc…
in private repositories
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