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The quick information:
Use the ligand’s context menu (right mouse click) in the ProjectTree.
We aim to improve support of this workflow.
Background Information:
PDB typically lacks information such as bond orders, atom type etc.
We try to augment the existing information as good as we can (there is significant work in progress). However, often this is not satisfactory, which is why ReCore’s “Add“ button is there – forcing users to load an externally prepared ligand.
For the time being, there is a workaround for this situation:
In the ProjectTree go to
FlexX/FlexSIS -> Reference Ligands -> <name_of_your_ligand>, then
select 'Use as ReCore Query Molecule'.
Note:
One of the movies shows that there are many more context menus attached to certain objects in the tree some of which you may find useful.
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