BuildAMol - Python toolkit for molecule / polymer design

A recent publication in J. Cheminf. looks like it would be useful to many Avogadro users:

Kleinschmidt, N., Lemmin, T. “BuildAMol: a versatile Python toolkit for fragment-based molecular design.” J Cheminform 16, 104 (2024). BuildAMol: a versatile Python toolkit for fragment-based molecular design | Journal of Cheminformatics | Full Text

The package has really nice documentation for a range of “build a molecule” tasks:

  • building up biomolecules (proteins, glycans)
  • glycosylating a protein
  • adding a solvation box
  • polymers
  • dendrimers
  • nanotubes
  • metal-organic frameworks
  • etc.

https://biobuild.readthedocs.io/en/latest/index.html

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