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PDB-REDO / alphafill

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.
https://alphafill.eu
BSD 2-Clause "Simplified" License
90 stars 18 forks source link

Conda package #20

Closed steff1088 closed 1 year ago

steff1088 commented 1 year ago

Hi, are there any plans making a conda installation package for Alphafill? Would make things easier especially with these different library dependencies.

drlemmus commented 1 year ago

No plans in that direction at the moment.

mhekkel commented 1 year ago

You are of course free to create such a package yourself. If changes are required to our code base you can create a pull request.