ARIA Setup

Main Panel

pulldown Run Number: Selects which calculation job or “run” is currently being viewed or edited

button New Run: Make a setup for a new calculation run

button Copy Run: Make a new calculation run by copying the current one

button Delete Run: Delete the current calculation run settings

Input Data

Documentation missing

pulldown Molecular System: Selects which molecular system the calculation will be run on

pulldown Chain Selection: Selects which particular chains to consider form the selected molecular system

entry Run Details: User-editable textual comment for the current calculation

Peak Lists

Documentation missing

Table 1
# Row number
Experiment The name of the experiment that contains the input peak list
Spectrum The name of the spectrum that contains the input peak list
Serial The serial number of the input peak list within its spectrum
Peaks The number of peaks in the peak list

button Remove Selected: Remove the selected peak list from consideration (does not delete the data)

button Add Peak List: Add the selected peak list as calculation input

pulldown *None*: Selects a peak list which may be added as calculation input

Restraint Lists

Documentation missing

Table 2
# Row number
Restraint Type The type of restraints in the input restraint list
Restraint Set The restraint set that contains the input restraint list
Serial The serial number of the input restraintlist within its restraint set
List Name The textual name of the input restraint list
Restraints The number of restraints in the input restraint list

button Remove Selected: Remove the selected restraint list from consideration (does not delete the data)

button Add Restraint List: Add the selected restraint list as calculation input

pulldown *None*: Selects a restraint list which may be added as calculation input

Run Settings

Documentation missing

entry aria: Documentation missing

entry CNS Executable: Documentation missing

button Select File: Documentation missing

entry Working Directory: Documentation missing

button Select File: Documentation missing

entry Temporary Directory: Documentation missing

button Select File: Documentation missing

Table 3
PeakList Documentation missing
Filter Violated? Documentation missing (Editable)
Keep Assignments? Documentation missing (Editable)
Shift List Documentation missing
Table 4
Constraint List Documentation missing
Name Documentation missing
Filter Violated? Documentation missing (Editable)
Ambiguous Protocol? Documentation missing (Editable)

Output Data

Documentation missing

Table 5
Data Type The kind of data output by the calculation
# the serial number of the output data, within the calculation run
Name The name of the output data
CCPN Data The identity of any CPN objects that are lined to/as output data
Parameters Any parameters which relate to the output data
Weight Any fractional weighting that was applied to the output data

button ARIA Project File: Documentation missing

button Launch ARIA GUI: Documentation missing

button Setup Project: Documentation missing

button Submit to CcpnGrid: Documentation missing

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