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galaxycomputationalchemistry / galaxy-tools-compchem

:mega: Galaxy Tools for Computational Chemistry
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new gromacs tool for calculating RMSF using gmx #155

Closed thepineapplepirate closed 1 year ago

simonbray commented 2 years ago

Sorry, won't have time to finish reviewing this and the other PR this evening. But it looks good to me. :+1:

Just one thing that struck me: is the 'raw data' option really that useful? Would it be worth using the xvg_or_tab_outputs macro so the user can choose to download a Galaxy tabular file as well?

thepineapplepirate commented 1 year ago

Sorry, won't have time to finish reviewing this and the other PR this evening. But it looks good to me. 👍

Just one thing that struck me: is the 'raw data' option really that useful? Would it be worth using the xvg_or_tab_outputs macro so the user can choose to download a Galaxy tabular file as well?

I think it's useful, depending on how a user chooses to plot the data, in my experience its been useful to just have the raw data points.