J. Sebastian Paez

WOOOOO!!!!

https://github.com/wfondrie/mokapot/pull/75/files#diff-6151fdf965e98367b9c6839d44d8a3e197950da27dd77522ed67a1115af9624aL27-L28 This has to be modified as well ... I think

@wfondrie lmk if you want me to fix it :)

> @jspaezp - can you review these changes? Did I miss anything? I dont think so, lets see if the tests agree with me :P

Hey there! Sorry for the late reply ... RN the implementation of the smiles generator is fairly simple (https://github.com/jspaezp/Peptides/blob/b0aab3765f99a0c4c79dddfecdd12d3ff71c9a20/R/smilesStrings.R) and I think it could be extended to 3-letter aas, but...

btw the tests that involve reading from USI are also breaking on master on my local system.

@bittremieux added the suggestions, LMK what you think!

Hello there! I think it depends a bit on what the intended use is ... The easiest implementation would be to just have the cli be an executable that can...

@timosachsenberg that sounds like a good enough motivation to be honest! I think I could make a quick "prototype script" if you are willing to build it yourself for a...

@RalfG Indeed I have not started tackling this, I would be happy to review the PR!