Improved Ligand Reports


Ligand Summary Reports include information about the selected chemical components such as formula, molecular weight, name, SMILES string, which PDB entries are related to the ligand, and how they are related.

Generate Reports: Ligand Summary

To generate a report, select the Ligand Summary option from the Generate Reports pull-down menu for any set of query results.

Click on the triangle to reveal the sub-table of PDB IDs.

For each ligand included in the report, a sub-table can be selected to show lists of all related PDB entries that contain the ligand, the entries that contain the ligand as a free ligand, and entries that contain the ligand as part of a larger, polymeric ligand.

To display this sub-table, select the triangle shown next to the Ligand ID. The display is limited to 15 PDB IDs in each column. For ligands associated with more than 15 PDB entries, the ... [more] link will launch a query for that set of structures.

All tabular report features are also available, including sorting, filtering, export to other report formats, and column customization.

Ligands can also be displayed as an image collage.

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