AI & Computingarticle2026-10-16

Den2Obj: A command-line tool for producing isosurfaces from electron density data files

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Abstract

A command-line tool for generating isosurfaces from electron-density scalar fields. Den2Obj reads VASP CHGCAR, PARCHG, and LOCPOT files as well as Gaussian Cube files, and exports meshes in OBJ, PLY, and STL formats. It also supports conversion to the lossless compressed D2O format and, when enabled, OpenVDB.

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View paper (DOI)Open access versionOpenAlexThe Journal of Open Source SoftwarePublished 2026-10-16

Authors: Ivo A. W. Filot

Institutions: Eindhoven University of Technology