application: dan [
  documentation: "Calculate nucleic acid melting temperature"
  groups: "Nucleic:Properties, Nucleic:Composition"
  relations: "EDAM_topic:0094 Nucleic acid thermodynamics"
  relations: "EDAM_topic:0157 Sequence composition analysis"
  relations: "EDAM_operation:0455 Nucleic acid thermodynamic property calculation"
]

section: input [
  information: "Input section"
  type: "page"
]

  seqall: sequence [
    parameter: "Y"
    type: "DNA"
    relations: "EDAM_data:2887 Sequence record (nucleic acid)"
  ]

endsection: input

section: required [
  information: "Required section"
  type: "page"
]

  integer: windowsize [
    standard: "Y"
    minimum: "1"
    maximum: "100"
    default: "20"
    information: "Enter window size"
    help: "The values of melting point and other thermodynamic
           properties of the sequence are determined by taking a short length
           of sequence known as a window and determining the properties of
           the sequence in that window. The window is incrementally moved
           along the sequence with the properties being calculated at each
           new position."
    relations: "EDAM_data:1251 Window size"
  ]

  integer: shiftincrement [
    standard: "Y"
    minimum: "1"
    maximum: "$(windowSize)"
    failrange: "N"
    trueminimum: "N"
    default: "1"
    information: "Enter Shift Increment"
    help: "This is the amount by which the window is moved at each
           increment in order to find the melting point and other properties
           along the sequence."
    relations: "EDAM_data:2141 Window step size"
  ]

  float: dnaconc [
    standard: "Y"
    minimum: "1."
    maximum: "100000."
    default: "50."
    information: "Enter DNA concentration (nM)"
    relations: "EDAM_data:2140 Concentration"
  ]

  float: saltconc [
    standard: "Y"
    minimum: "1."
    maximum: "1000."
    default: "50."
    information: "Enter salt concentration (mM)"
    relations: "EDAM_data:2140 Concentration"
  ]

endsection: required

section: additional [
  information: "Additional section"
  type: "page"
]

  section: productsection [
    information: "Product options"
    type: "frame"
  ]

    toggle: product [
      additional: "Y"
      information: "Prompt for product values"
      help: "This prompts for percent formamide, percent of mismatches
             allowed and product length."
    relations: "EDAM_data:2527 Parameter"
    ]

    float: formamide [
      additional: "$(product)"
      minimum: "0."
      maximum: "100."
      default: "0."
      information: "Enter percentage of formamide"
      help: "This specifies the percent formamide to be used in
             calculations (it is ignored unless -product is used)."
    relations: "EDAM_data:2527 Parameter"
    ]

    float: mismatch [
      additional: "$(product)"
      minimum: "0."
      maximum: "100."
      default: "0."
      information: "Enter percent mismatch"
      help: "This specifies the percent mismatch to be used in
             calculations (it is ignored unless -product is used)."
    relations: "EDAM_data:2146 Threshold"
    ]

    integer: prodlen [
      additional: "$(product)"
      minimum: "$(windowsize)"
      default: "$(windowsize)"
      information: "Enter the product length"
      expected: "Window size (20)"
      help: "This specifies the product length to be used in
             calculations (it is ignored unless -product is used)."
    relations: "EDAM_data:1249 Sequence length"
    ]

  endsection: productsection

  section: thermosection [
    information: "Thermodynamic options"
    type: "frame"
  ]

    toggle: thermo [
      additional: "Y"
      information: "Thermodynamic calculations"
      help: "Output the DeltaG, DeltaH and DeltaS values of the
             sequence windows to the output data file."
    relations: "EDAM_data:2527 Parameter"
    ]

    float: temperature [
      additional: "$(thermo)"
      minimum: "0."
      maximum: "100."
      default: "25."
      information: "Enter temperature"
      help: "If -thermo has been specified then this specifies the
             temperature at which to calculate the DeltaG, DeltaH and DeltaS
             values."
    relations: "EDAM_data:2139 Nucleic acid melting temperature"
    ]

  endsection: thermosection

endsection: additional

section: advanced [
  information: "Advanced section"
  type: "page"
]

  boolean: rna [
    information: "Use RNA data values"
    help: "This specifies that the sequence is an RNA sequence and not
           a DNA sequence."
    relations: "EDAM_data:2527 Parameter"
  ]

endsection: advanced

section: output [
  information: "Output section"
  type: "page"
]

  toggle: plot [
    information: "Produce a plot"
    help: "If this is not specified then the file of output data is
           produced, else a plot of the melting point along the sequence is
           produced."
    relations: "EDAM_data:2527 Parameter"
  ]

  float: mintemp [
    standard: "$(plot)"
    minimum: "0."
    maximum: "150."
    default: "55."
    information: "Enter minimum temperature"
    help: "Enter a minimum value for the temperature scale (y-axis) of
           the plot."
    relations: "EDAM_data:2139 Nucleic acid melting temperature"
  ]

  xygraph: graph [
    standard: "$(plot)"
    multiple: "1"
    gdesc: "DNA melting plot"
    relations: "EDAM_data:2968 Image"
    sequence: "Y"
  ]

  report: outfile [
    standard: "@(!$(plot))"
    help: "If a plot is not being produced then data on the melting
           point etc. in each window along the sequence is output to the
           file."
    rformat: "seqtable"
    taglist: "float:tm=Tm float:gc=GC float:dg=DeltaG
              float:dh=DeltaH float:ds=DeltaS float:tmprod=TmProd"
    nullok: "$(plot)"
    nulldefault: "$(plot)"
    relations: "EDAM_data:1583 Nucleic acid melting profile"
  ]

endsection: output
