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Add better default configs #19

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5 of 6 tasks
tomnewport opened this issue Jan 28, 2016 · 0 comments
Open
5 of 6 tasks

Add better default configs #19

tomnewport opened this issue Jan 28, 2016 · 0 comments

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@tomnewport
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Include
- cg-default
- cg-user

cg-default should be immutable

cg-user should be persistent

  • Save and load a ResidueParameters object
  • Save and load a ResidueStructure object
  • Save and load an ExchangeMap object
  • Save and load a GromacsMDPFile object
  • Figure out a folder structure
  • Save and load a config object

A nice folder structure might be:

/config-name
    /compositions
        /mitochondrial_inner.json
        /eukaryotic.json
    /exchange_maps
         /POPC
             /POPC.json
             /POPG.json
         /POPG
            /POPC.json
            /POPG.json
    /parameters
         /POPC.itp
         /POPG.itp
    /structures
        /POPC
            /<anything>.gro
        /POPG
            /<anything>.gro
            /<anything>.gro
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