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harryjubb / arpeggio

Calculation of interatomic interactions in molecular structures
http://biosig.unimelb.edu.au/arpeggioweb/
GNU General Public License v3.0
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.ari output in Arpeggio web interface #10

Closed washington-rosetta closed 5 years ago

washington-rosetta commented 5 years ago

Hello Harry and team, great work on creating arpeggio. I am currently using the web interface but I could not find the .ari output in the "full data package" output. Am I missing something?

harryjubb commented 5 years ago

Hi @washington-rosetta, thank you. You're right, it doesn't look like that file is included in the output.

Unfortunately I don't have access to the web service any more to investigate further, I'm not in a position to fully support it.

I'd recommend using the Python program, as it's also had a few updates since the publication of the web interface. The easiest way to get it running is to use the Dockerised version as described in the readme. There's also relevant information in the FAQ. I hope those are helpful, apologies that that doesn't directly resolve your issue.

washington-rosetta commented 5 years ago

Thanks, @harryjubb. I am using the Docker version of your Python program now. It works great.