Write lecture for day 2 - session 2

MDAnalysis / WorkshopPrace2021

Materials for the 2021 PRACE Workshop @ SurfSARA

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Write lecture for day 2 - session 2 #8

Closed jbarnoud closed 3 years ago

jbarnoud commented 3 years ago

Focus: Manipulation Content:

[ ] Universe manipulation (translations, rotations) and construction (Universe.empty, Merge, RDkit, OpenMM)
[ ] AtomGroup modification (make whole, wrap), Tramsformation

Lead by @richardjgowers

jbarnoud commented 3 years ago

I am writing the corresponding practical, so I can take the lead on that if you prefer @richardjgowers. You already have quite a few parts assigned to you.

richardjgowers commented 3 years ago

@jbarnoud are you writing this or me? I'm not sure why I'm down for this if you're delivering the material later on day 3

jbarnoud commented 3 years ago

@richardjgowers I assigned you because you were assigned to it in the spreadsheet, but I agree it makes more sense for me to prepare it.