CCS Calculation Settings

Upload a protein and configure CCS calculations using O-DISC and CA-TRAACE. Default settings should give good results for most proteins, especially those above 100 kDa.

Protein structure

Choose the structure you want to explore.

Choose a protein structurePDB format

Drop a PDB file here · up to 25 MB

Atom selection

Choose a preset or write your own MDAnalysis selection.

Atomic radiiCollision gas

Protonation handling

Calculation

Choose a preset, then adjust sampling.

Calculation preset

Viewing orientations

1326496128

Drag in steps of 1, or enter an exact count up to 2,048.

Calculation timeoutOrientations and timeout apply to both methods.

Enable CA-TRAACEGreater accuracy · longer calculation

Advanced settingsO-DISC & CA-TRAACE parameters

Scattering and multiplier settings.

Visualization

Choose how you see your results.

3D & cartography

Cartography

Colour mapProjection

Shape & figure settings

Figure widthFigure height

Draw protein shapes

Shape sizeShape viewsShape alphaHole fillShape colour (RGBA hex)

Scale AlphaShape markers

Interactive 3D

Colour mapProtein colour

Size & background settings

Downloaded 3D backgroundMinimum sizeMaximum size

CCS Calculation Settings

Protein structure

Calculation

Visualization

Distribution

Interactive 3D

Cartography

Calculation details

O-DISC Details

CA-TRAACE Details

Per-angle data