This means we currently have one sugar represented in two different ways: QuiNAc4NAc from Ferran and Roberta, and Bac from our group.
Plan: Use QuiNAc4NAc parameters since they include both alpha and beta forms for bacillosamine.
Add QuiNAc parameters (0QE) and replace Bac with that.
Ferran sent me prep files for QuiNAc, I need to run them through the gmml2 program to convert them into lib format and generate all the permutations.
Also need to make edits to the metadata on the webpage. Will detail more later.
This means we currently have one sugar represented in two different ways: QuiNAc4NAc from Ferran and Roberta, and Bac from our group.
Plan: Use QuiNAc4NAc parameters since they include both alpha and beta forms for bacillosamine.
Add QuiNAc parameters (0QE) and replace Bac with that.
Ferran sent me prep files for QuiNAc, I need to run them through the gmml2 program to convert them into lib format and generate all the permutations.
Also need to make edits to the metadata on the webpage. Will detail more later.