11. Spreadsheet

The spreadsheet window is used to view, compute, and analyze data associated with molecules and can be seen in Figure 11.1. The spreadsheet window contains three initial spreadsheets by default: Molecules, Proteins and Atoms. The Atoms spreadsheet is slightly different in behavior from the other two and is described later.

The Molecules spreadsheet is populated with all currently loaded small molecules (fewer than 255 atoms). Conversely, the Proteins spreadsheet is populated all currenty loaded molecules that have more than 255 atoms.

The columns and their associated values are populated from SD data. SD data can be found in both SDF and OEB files. Additional spreadsheet columns can also be added by computing expressions (see Section 11.5) or by importing external data from a comma-seperated value (.csv) or tab-seperated value file (.txt) (see Section 11.9).

**Figure 11.1:** Spreadsheet window

Subsections

11.1 Basic Usage
11.2 Sorting
11.3 Displaying Data
11.4 Organizing Columns
11.5 Creating New Columns
- 11.5.1 Math Functions
- 11.5.2 OEChem Functions
11.6 Filtering
11.7 Statistics
11.8 Formatting Columns
11.9 Importing/Exporting
- 11.9.1 Importing
- 11.9.2 Exporting

				AFITT User Manual

				AFITT User Manual