v0.1.10
Changes:
- [2023-04-29] Molecule: improved
fingerprint
method to be uniq for different atom kinds or diffent bond kinds. - [2023-04-29] Molecule: new
symbols
andatomic_numbers
methods - [2023-04-20] Added functions for visualization of molecules using jmol/agui
- [2023-04-20] Added spdkit-view script for easy viewing of molecular files