Skip to content

AtomPacker v0.4.1

Choose a tag to compare

View all tags
@jvsguerra jvsguerra released this 08 Aug 15:37
· 19 commits to main since this release
0.4.1
09f2645

AtomPacker

AtomPacker is a Python package for packing nanoclusters into supramolecular cages. It includes tools for detecting cavities in molecular structures, identifying openings, packing nanoclusters into these cavities, summarizing cluster characteristics (e.g., diameters, number of atoms), and exporting the structures of cavities and clusters.

Full Changelog: 0.4.0...0.4.1

Assets 2
Loading