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Don't buy anything yet! Except the HDD maybe. Use what you already have to tinker with things and try different setups.
A common OS people use is Proxmox, it's free and you can easily create VMs. You'll come across Docker/Containers sooner or later and you can easily test them in a VM.
Play around, figure out what you need and how you want to set it up, and only then get the necessary hardware.
Great advice!
I have decided to go with just the new hdd as you've suggested to get that pc up and going again. I've used portainer to manage docker containers in the past when running it as a game server, but always assumed Proxmox fulfilled the same niche. Now that I understand it better it sounds like a lot of fun to play around with!
You're in for a great time, have fun!