Update discussion of atom mapping from original best practices

[fjclark]

Proposed Change

Update the atom mapping discussion moved here from the first paper (alchemistry/alchemical-best-practices#145).

Proposed Authors and Reviewers

Please volunteer (before the end of January) to author/ review and state when you're available. Authors, please say roughly when you plan to contribute the changes (no later than the end of May).

Proposed author: @RiesBen?
Proposed reviewer: Volunteer wanted

[hannahbruce]

I'm happy to review this section if needed

[RiesBen]

on board, too! :)

[fjclark]

Brilliant, thanks!

[RiesBen]

Hi @fjclark,
just saw, I never committed to a timeline :)
I think start of April would be cool, so @hannahbruce has also time to read it.
One question, is there some material on how to proceed with the update? Or shall I just go through the old parts and edit them?

Sorry because of my recent position change, my E-mails are a mess, and I might have missed something here.

Best

[fjclark]

Hi @RiesBen, great, thank you!

I've just forwarded the latest message with links to the Overleaf documents to the email on your website - please let me know if I should use a different address. The guidance isn't too specific - you can edit directly on the Overleaf documents, which have track-changes enabled (and then commit from there to GitHub), or fork and create a PR. We're generally recommending direct edits for small changes, and PRs for larger changes - but it's up to you. For this section, it would be great if you could move the original discussion from the first paper here (alchemistry/alchemical-best-practices#145 - I didn't get time to do this) and update it as you see fit.

Hope that makes sense, and let me know if you have any other questions.

Thanks.

[RiesBen]

this is perfect! Thank you :)