ArticlePloS one2022
Implementation of a cylindrical distribution function for the analysis of anisotropic molecular dynamics simulations.
Article in PloS one, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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8 citing papers in PubMed.
- Design Principles for Fluid Molecular Ferroelectrics.Advanced materials (Deerfield Beach, Fla.) · 2026Article
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- Detailed atomistic investigation of aggregation and interaction of teriparatide in aqueous media.Scientific reports · 2025Article
- Intermediate-range solvent templating and counterion behaviour at charged carbon nanotube surfaces.Nature nanotechnology · 2025Article
- Article
- AI-assisted discovery of potent FGFR1 inhibitors via virtual screening and in silico analysis.PloS one · 2025Article
- Revealing the antipolar order in the antiferroelectric SmZScientific reports · 2024Article
- New examples of ferroelectric nematic materials showing evidence for the antiferroelectric smectic-Z phase.Scientific reports · 2024Article
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Abstract
The cylindrical distribution function (CDF) is a convenient anisotropic analogue of the radial distribution function, the difference being the use of cylindrical shells for binning. As such, CDF analysis can be a powerful tool for the analysis of positional correlations within anisotropic systems, such as liquid crystals. Here we describe a lightweight Python tool, cylindr, for the calculation of cylindrical distribution function, which is compatible with the output of a number of popular MD engines. We demonstrate the use of cylindr in computing the CDF of a number of exemplar materials: classical and ferroelectric nematics; lamellar and columnar liquid crystals.
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