AlphaFill is an algorithm based on sequence and structure similarity that “transplants” missing compounds to the AlphaFold models. By adding the molecular context to the protein structures, the models can be more easily appreciated in terms of function and structure integrity.
Related to https://github.com/mhekkel/mrc/issues/12, if it's possible to remove mrc dependency from alphafill, it's anticipated that the alphafill package will become accessible through macOS Homebrew, facilitating broader experimentation for many researchers.
I would appreciate your consideration of this proposal.
Related to https://github.com/mhekkel/mrc/issues/12, if it's possible to remove
mrc
dependency from alphafill, it's anticipated that the alphafill package will become accessible through macOS Homebrew, facilitating broader experimentation for many researchers. I would appreciate your consideration of this proposal.