ChargeCalculator:Index: Difference between revisions
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This index contains a list of keywords involved in setting up calculations in '''ACC''', and interpreting the results of these calculations. A brief explanation is provided for each keyword. | This index contains a list of keywords involved in setting up calculations in '''ACC''', and interpreting the results of these calculations. A brief explanation is provided for each keyword. | ||
'''Return to the [[ChargeCalculator:UserManual | Table of contents]].''' | |||
=Setup keywords= | =Setup keywords= | ||
=Results keywords= | =Results keywords= | ||
Raw Data | |||
Atom Grouping (Atoms, Residues) - in tabs Raw Data, Analyze, Compare, 3D Model | |||
Group Property - Depends on Atom Grouping (ResidueName, ChemicalElement, ResidueChargeType), (ResidueName, AtomicComposition, ResidueChargeType) - in tab Analyze | |||
Plot Value - in tab Analyze (MinimumCharge = Min, MaximumCharge = Max, Average Charge = Avg, Average Absolute Charge = |Avg|, Median Charge, Median Absolute Charge, Standard Charge Deviation = σ, Standard Abs. Charge Deviation = |σ|) | |||
Property Value = Plot Value, in the Analyze graph | |||
R² = Pearson, ρ = Spearman, δ² = RMSD, Diff. = sum of absolute differences? | |||
Display Charges | |||
Show Differences | |||
Display Mode - Depends on Atom Grouping: Atoms (Balls and Sticks, Surface, Cartoons, C-α trace, VDW spheres), Residues (Balls and Sticks, Surface) | |||
Revision as of 17:34, 16 December 2014
This index contains a list of keywords involved in setting up calculations in ACC, and interpreting the results of these calculations. A brief explanation is provided for each keyword.
Return to the Table of contents.
Setup keywords
Results keywords
Raw Data Atom Grouping (Atoms, Residues) - in tabs Raw Data, Analyze, Compare, 3D Model Group Property - Depends on Atom Grouping (ResidueName, ChemicalElement, ResidueChargeType), (ResidueName, AtomicComposition, ResidueChargeType) - in tab Analyze Plot Value - in tab Analyze (MinimumCharge = Min, MaximumCharge = Max, Average Charge = Avg, Average Absolute Charge = |Avg|, Median Charge, Median Absolute Charge, Standard Charge Deviation = σ, Standard Abs. Charge Deviation = |σ|) Property Value = Plot Value, in the Analyze graph R² = Pearson, ρ = Spearman, δ² = RMSD, Diff. = sum of absolute differences? Display Charges Show Differences Display Mode - Depends on Atom Grouping: Atoms (Balls and Sticks, Surface, Cartoons, C-α trace, VDW spheres), Residues (Balls and Sticks, Surface)