WebMO Help - Coordinate Scans (Pro)

Viewing Job Results

When a job has completed, from the Job Manager page click either the job name or the View Job icon ().

Displaying 1-D Coordinate Scans

Scroll to the Coordinate Scan section on the View Job page. The result of a one-dimensional coordinate scan can be viewed in several ways:

• The values of each point are listed in the Coordinate Scan section of the Calculated Quantities on the View Job page
• The energy curve may be plotted in the Data Viewer of the Result page by clicking
• The values of each point may be downloaded as comma separated values (*.csv) by clicking , which is useful for importing into a separate plotting or spreadsheet program
• The geometry of each step can be animated while the corresponding energy value is displayed by clicking

Displaying 2-D Coordinate Scans

Scroll to the Coordinate Scan section on the View Job page. The result of a two-dimensional coordinate scan can be viewed in several ways:

• The values of each point are listed in the Coordinate Scan section of the Calculated Quantities on the View Job page
• A color-coded contour plot may be displayed in the Data Viewer by clicking
• The values of each point may be downloaded as comma separated values (*.csv) by clicking , which is useful for importing into a separate plotting or spreadsheet program

1-D Water Coordinate Scan

2-D Water Coordinate Scan