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Feat/rt cetsa tools #9

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agerardin
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add 2 new tools:

  • rt-cetsa-moltenprot to run moltenprot model fit
  • rt-cetsa-analysis tool to run R statistical analysis

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For the analysis tool, it seems that the Python wrapper is unnecessary. It could be done simply as a short bash script. That said, I don't think this should stop the branch from being merged.

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I assume that this file is identical to that provided by the client, except for the couple of line changes that you mentioned in Slack.

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Do the R requirements need to be installed in this specific order or can these six files be consolidated somehow?

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This Python wrapper seems completely unnecessary. It all boils down to calling the underlying R code via a subprocess call which is identical to running it from the command-line. The python code could all be replaced with a simple shell script, or the commands could just be baked into the Dockerfile.

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closed in favor of #20

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2 participants