Grapheme TK 1.3.1¶
The algorithm that determines the position of residues around a ligand has been improved. Residues are no longer placed the same distance from the ligand but are positioned closer to the ligand atoms they interact with and farther away if they have
only contactinteractions with the ligand.
The color scheme used to visualize interaction types when depicting protein-ligand interactions has been updated.
acceptor | donorcolor style no longer exists since
OEPerceiveInteractionHintsnow perceives possible hydrogen bonding interactions between ligand and water. If no such interaction exists, the glyph representing a specific water residue will be left uncolored, indicating an
Clashinteractions are now colored dark red.
2016.Jun color scheme
2016.Oct color scheme
Minor bug fixes¶
A problem that caused the glyph that represents a residue in a receptor-ligand interaction plot to be incorrectly colored based on its interaction type has been fixed.
All images in the Grapheme TK documentation have been regenerated to reflect the changes made since the previous release.