Why does the Ligand Interaction Diagram (LID) fail with messages "Error: LID cannot render molecule" and "Exception: input molecule has more than 300 atoms, check input for valid protein-ligand complex"?

In Suite 2011, the protein entry is expected to be above the ligand entry in the Project Table (as it is in a pose-viewer file), if the LID is being generated from multiple entries rather than a single complex. If the ligand entry is above the protein entry, you might see a warning dialog with the messages

Error: LID cannot render molecule:
Traceback (most recent call last):
Exception: input molecule has more than 300 atoms, check input for
valid protein-ligand complex

The workaround is to change the order of the protein and ligand entries in the Project Table so the protein entry is first.

This problem should no longer be present in Suite 2012, as the LID uses code to detect the ligand automatically.

Keywords: Maestro

Back to Search Results