search

leandroradusky / pyfoldx

pyFoldX: python bindings for FoldX.
37 stars 4 forks source link

How can i fix this error #4

Closed abok2020 closed 2 years ago

abok2020 commented 2 years ago

Sorry i am not an expert in linux. I keep getting an error - NameError: name 'exit' is not defined when i get to 'st.getTotalEnergy()'. This error is accompanied by 'FoldX executable not found, please set the variable FOLDX_LOCATION'. Thanks.

leandroradusky commented 2 years ago

Hi @abok2020,

You should execute export FOLDX_BINARY=/your/path/to/foldx or include it in your .bashrc file. Remember that you have to download foldx somewhere to be able to use pyfoldx.

Hope this helps, if not, let me know :)

abok2020 commented 2 years ago

Thank you!. Will do that.

Jeremiah.

From: leandroradusky @.> Sent: Wednesday, June 22, 2022 9:05 AM To: leandroradusky/pyfoldx @.> Cc: Jeremiah Abok @.>; Mention @.> Subject: Re: [leandroradusky/pyfoldx] How can i fix this error (Issue #4)

[EXTERNAL]

Hi @abok2020https://github.com/abok2020,

You should execute export FOLDX_BINARY=/your/path/to/foldx or include it in your .bashrc file. Remember that you have to download foldx somewhere to be able to use pyfoldx.

Hope this helps, if not, let me know :)

— Reply to this email directly, view it on GitHubhttps://github.com/leandroradusky/pyfoldx/issues/4#issuecomment-1163310419, or unsubscribehttps://github.com/notifications/unsubscribe-auth/AN6GSD3U2ROWSA4DSJV3BHTVQM2V3ANCNFSM5YE6MRYQ. You are receiving this because you were mentioned.Message ID: @.***>