2.1.1

What's Changed

• Add PDB Exporter
• Bump Microsoft.AspNetCore.ClientAssets from 0.1.0-alpha.21528.2 to 0.1.0-alpha.23330.1 by @dependabot in #101

Full Changelog: v.2.1.0...v2.1.1

2.1.0

Refactored out System.Text.Json from ElementDataProvider.cs using SourceGeneration 1a27287

Full Changelog: v2.0.1...v.2.1.0

v2.0.1

[Helix Toolkit] Added Static Field for Selected Atom Color

Full Changelog: v2.0.0...v2.0.1

2.0.0

What's Changed

• Bump coverlet.collector from 3.1.0 to 3.1.1 by @dependabot in #37
• Bump HelixToolkit.Core.Wpf from 2.20.0 to 2.20.1 by @dependabot in #38
• Update publish.yml by @JensKrumsieck in #49
• Update to Version 2.0.x by @JensKrumsieck in #65
• up-d README.md by @JensKrumsieck in #87
• Spectroscopy overhaul by @JensKrumsieck in #95

Breaking Changes:

• Added the new Formats for Structural Files!
• DataProviders removed
• Use Molecule.FromX instead of MoleculeFactory
• Use Spectrum.FromFile instead of SpectrumFactory

Changes

• Molecules are UndirectedGraphs now!
• new Format: mmCIF
• new Format: PDB Ligand CIF
• Performance Improvements (up to 10x faster)
• More Codegenerators
• Use XUnit for tests

Full Changelog: v1.0.15...v2.0.0

2.0.0 beta 1

What's Changed

• Update to Version 2.0.x by @JensKrumsieck in #65

Full Changelog: v1.0.15...v2.0.0-beta.1

2.0.0 Alpha 3

Full Changelog: v2.0.0-alpha.2...v2.0.0-alpha.3

v2.0.0-alpha.2

Full Changelog: v2.0.0-alpha.1...v2.0.0-alpha.2

2.0.0 Alpha 1

Decided to go with 2.0.x instead of 1.1.x

1.1.0 Beta 2

v1.1.0-beta.2

Beta2

1.1.0 Beta 1

THIS IS A NON-STABLE PRE-RELEASE! Use 1.0.x in production!

Breaking Changes:

• Added the new Formats for Structural Files!
• DataProviders are obsolete for Structural Files!
• Use Molecule.FromX instead of MoleculeFactory

Changes

• Molecules are UndirectedGraphs now!
• new Format: mmCIF
• new Format: PDB Ligand CIF
• Performance Improvements (up to 10x faster)
• More Codegenerators
• Use XUnit for tests

Full Changelog: v1.0.15...v1.1.0-beta.1