ChargeCalculator:Index: Difference between revisions
No edit summary |
|||
| Line 6: | Line 6: | ||
=Results keywords= | =Results keywords= | ||
Raw Data | |||
Atom Grouping ( | ==Raw Data tab== | ||
Group Property - Depends on Atom Grouping (ResidueName, ChemicalElement, ResidueChargeType), (ResidueName, AtomicComposition, ResidueChargeType) - in tab Analyze | '''Atom Grouping''' | ||
Plot Value | Possible values: Atoms (), Residues () | ||
Property Value | |||
==Analyze tab== | |||
*'''Atom Grouping ''' | |||
Description: | |||
Possible values: Atoms (), Residues () | |||
*'''Group Property''' | |||
Description: - Depends on Atom Grouping | |||
Possible values: (ResidueName, ChemicalElement, ResidueChargeType), (ResidueName, AtomicComposition, ResidueChargeType) - in tab Analyze | |||
*'''Plot Value''' | |||
Description: | |||
Possible values: 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''' | |||
Description: same as Plot Value | |||
Possible values: same as Plot Value | |||
==Compare tab== | |||
R² = Pearson, ρ = Spearman, δ² = RMSD, Diff. = sum of absolute differences? | R² = Pearson, ρ = Spearman, δ² = RMSD, Diff. = sum of absolute differences? | ||
==3D Model tab== | |||
Display Charges | Display Charges | ||
Show Differences | Show Differences | ||
Display Mode - Depends on Atom Grouping: Atoms (Balls and Sticks, Surface, Cartoons, C-α trace, VDW spheres), Residues (Balls and Sticks, Surface) | Display Mode - Depends on Atom Grouping: Atoms (Balls and Sticks, Surface, Cartoons, C-α trace, VDW spheres), Residues (Balls and Sticks, Surface) | ||
Charge Scaling - Depends on Display Mode | |||
Revision as of 17:43, 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 tab
Atom Grouping Possible values: Atoms (), Residues ()
Analyze tab
- Atom Grouping
Description: Possible values: Atoms (), Residues ()
- Group Property
Description: - Depends on Atom Grouping Possible values: (ResidueName, ChemicalElement, ResidueChargeType), (ResidueName, AtomicComposition, ResidueChargeType) - in tab Analyze
- Plot Value
Description: Possible values: 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
Description: same as Plot Value Possible values: same as Plot Value
Compare tab
R² = Pearson, ρ = Spearman, δ² = RMSD, Diff. = sum of absolute differences?
3D Model tab
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) Charge Scaling - Depends on Display Mode