while trying to generate 2d graph of ligand and receptor interaction using discovery studio visvalizer .i always got the error :
Invalid selection for 2D ligand. A valid selection consists
of a Molecule, Chain, or multiple Residue objects. The maximum
number of atoms in the ligand is specified in the preferences.
i changed the atom number in preference also.
To do so, select the ligand and click on "define ligand" at receptor-ligand tab . Then, click on "show 2d diagram" at the same tab. I think you did this already.
First, you should check the ligand definition on edit > preferences > ligand definition. Check wether you selection is in agreement with the program settings and change them if necessary. Also, it seems there is a problem with your ligand structure since there are rings with weird bonds. I'd suggest you to check it too.
Hi,
Since you mentioned 2D-plot, you can also try ligplot. It's a very nice tool for detailed interactions between ligand and protein residues.
Already said but more specifically, Edit--Preferences-Ligand definition (default is 100 atom) : CHANGE IT let's say 500. After that again choose your receptor and ligand and hit the 2d button ...
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