Unable to install fastpca through conda about fastpca

[simonbray]

Can you provide the full command and error please?

Are you installing into the base environment? If so can you try creating a new environment, that is highly recommended. Have you tried appending --override-channels to the command?

Best wishes,

Simon

[braniii]

@simonbray thx for helping out

If you want to perform dPCA+ you need to provide a text file where each column corresponds to a dihedral angle together with the flag --periodic. It should be noted that the angle should be given in degrees! Here you can find an example input file for HP35. And maybe one further note: performing PCA on sin/cos values is known as dPCA (no plus in this case).

[simonbray]

Oh, another thought: what OS are you on? The conda package is only available for Linux.

[ashrayar]

Hi Simon, I tried this on macOS. But let me give it a try now on linux. Thanks for getting back! Regards, Ashraya

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On Thu, Feb 17, 2022 at 12:49 AM Simon Bray ***@***.***> wrote: Oh, another thought: what OS are you on? The conda package is only available for Linux. — Reply to this email directly, view it on GitHub <#2 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AJICZ6IV2WVCBUOIHV342OTU3SZBPANCNFSM5OTG2OUA> . Triage notifications on the go with GitHub Mobile for iOS <https://apps.apple.com/app/apple-store/id1477376905?ct=notification-email&mt=8&pt=524675> or Android <https://play.google.com/store/apps/details?id=com.github.android&referrer=utm_campaign%3Dnotification-email%26utm_medium%3Demail%26utm_source%3Dgithub>. You are receiving this because you authored the thread.Message ID: ***@***.***>

[ashrayar]

The conda installation worked on a linux environment. Thanks again!
I have a PDB file with multiple models and I want to perform dPCA+ on all dihedral angles. How should I format the input? Should it be a text file with the just the dihedral angles or should it be the sin/cos values of the angles?