CATpie: A Python tool for quantifying membrane curvature, area, and geometrically faithful normal-line thickness from molecular dynamics simulations

highlights regions where vertical separation overestimates normal-line spacing due to membrane tilt. CATpie supports atomistic and coarse-grained simulations of planar and undulated bilayers that remain representable as single-valued leaflet height fields z=Z(x,y) over a periodic domain (without overhangs or topological changes), enabling systematic geometric characterisation of membrane simulations.

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Publication Details

Journal
Biochimica et Biophysica Acta (BBA) - Biomembranes
Published
2026-04-06
DOI
https://doi.org/10.1016/j.bbamem.2026.184530
Primary Topic
Lipid Membrane Structure and Behavior
Type
article
Field-Weighted Citation Impact
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article

CATpie: A Python tool for quantifying membrane curvature, area, and geometrically faithful normal-line thickness from molecular dynamics simulations

Ali Asghar Hakami Zanjani
Biochimica et Biophysica Acta (BBA) - Biomembranes
Lipid Membrane Structure and Behavior
article

CATpie: A Python tool for quantifying membrane curvature, area, and geometrically faithful normal-line thickness from molecular dynamics simulations

Ali Asghar Hakami Zanjani
article en

Abstract

highlights regions where vertical separation overestimates normal-line spacing due to membrane tilt. CATpie supports atomistic and coarse-grained simulations of planar and undulated bilayers that remain representable as single-valued leaflet height fields z=Z(x,y) over a periodic domain (without overhangs or topological changes), enabling systematic geometric characterisation of membrane simulations.

Biochimica et Biophysica Acta (BBA) - BiomembranesVol. 1868(3)
University of Southern Denmark (DK)
Openalex Percentile: Top 23%
Lipid Membrane Structure and Behavior
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