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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
89 stars 16 forks source link

Install Issues #14

Closed WillExeter closed 1 year ago

WillExeter commented 1 year ago

Hey Robbie,

Long time! Trying to install AlphaFill (Ubuntu 20.04) as an add on to our AlphaFold server but running into issues with libcif++ when building. The git clone was installed but seemed to be lacking the structure.hpp file. Which version of libcif++ should be used when installing?

Beste, Will Stuart

mhekkel commented 1 year ago

The code in the trunk of the alphafill github repository is out of sync with libcifpp. You can try to use the develop branch from alphafill with the trunk version of libcifpp. Or you should install an earlier version of libcifpp, one of the 4.x tagged versions.