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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

Error building AlphaFill on Ubuntu 20.04.5 LTS #21

Closed Vedasheersh closed 1 year ago

Vedasheersh commented 1 year ago

Hi,

Great work on AlphaFill, this is really helping with some large-scale structure-function studies we always wanted to do. I am not much of a computer guy, but I am trying to use alphafill as a part of my PhD. I would greatly appreciate your help!

I am trying to build alphafill on Ubuntu 20.04.5 LTS using cmake. I followed the instructions in README.md step by step. I encounter the following error. Any idea why this error comes up and how to fix this?

ubuntu@xx:~/alphafill_code/alphafill/build$ sudo cmake --build .
Scanning dependencies of target webpack
[  6%] Generating ../docroot/scripts/index.js
00h00m00s 0/0: : ERROR: [Errno 2] No such file or directory: 'run'
make[2]: *** [CMakeFiles/webpack.dir/build.make:67: ../docroot/scripts/index.js] Error 1
make[1]: *** [CMakeFiles/Makefile2:888: CMakeFiles/webpack.dir/all] Error 2
make: *** [Makefile:95: all] Error 2

Thanks, Veda.

mhekkel commented 1 year ago

Hi Veda,

Did you install yarn? The one from https://yarnpkg.com/

Vedasheersh commented 1 year ago

Hi @mhekkel

Thank you so much for your quick response!

Yes, I had installed yarn using node.js and figured the binary is named 'node.yarn'. I now created a symbolic link to this as '/usr/bin/yarn' and run the setup again. It worked!

Thanks a lot!

Veda.