Creating Tabular Reports

11/09

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The Generate Reports pull-down menu.

Tabular reports offer a convenient ways to view, export, and interact with query results.

What types of reports are available?
After entering a search, select the Generate Reports pull-down menu on the Structure Hits tab to create a tabular report for the set of returned structures. In addition to creating a collage of structure images, users can generate:

A customized table created by selecting combinations of fields, including experimental, structural, and non-structural data; references to sequence databases (UniProtKB , Pfam), domain information (CATH, SCOP); literature (PubMed); and ontology terms (GO, MeSH)
Pre-generated summary reports about structure, sequence, ligand, literature, and biological details
Pre-generated experimental reports specific for X-ray or NMR structures

From the Ligand Hits tab, select Generate Reports>Ligand Results Table to generate a table that includes the ligand ID, image, formula, molecular weight, name, SMILES, and the PDB IDs for the related entries.

How can tabular reports be customized?
The interactive interface for tabular reports can be used to create different views of the query results.

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Example Structure Summary tabular report that was customized by selecting the columns to be displayed, using the inline filter to limit the results to structures with experimental method `X-RAY`, and sorting by resolution. Up to 1000 rows per page can be displayed.

Users can:

Sort the table by column (click on column header)
Quickly refine the query results by using the inline filter (type text in box below column header)
Further refine the results set by using the Advanced filter to combine multiple conditions (Filter Results link)
Show/hide columns and change column order (Customize Columns link)
Adjust column width (drag column separator)
Change number of results per page (bottom menu bar)
Resize table (drag bottom right corner of table)

In which formats can the data be exported?
Select one of the icons below to download the report in:

Excel 97-2003 format: Multiple work sheets will be generated for large data sets to accommodate the row limitation (65,536) in older versions of Excel.
Excel 2007 or newer versions
CSV: Comma Separated Value format (no limitations, recommended for extra large data sets)

Export in Excel is limited to 1,000,000 cells (#rows * #columns). Larger reports can be export in the CSV format. The Excel spreadsheets have been reformatted with customized column width, text wrapping, alignment, and hyperlinks on selected columns. Previous formatting issues with PDB IDs appearing as floating point numbers (e.g., such as 1E10) have been resolved.
A detailed description of the tabular reports is available.