GraphemeTM TK 1.3.5¶
A new function,
OERenderUnpairedInteractionMap, has been added to visualize clash and unpaired interactions.
OERenderActiveSitenow depicts covalent and cation-pi interactions.
The style for depicting stacking interactions has been simplified.
The color scheme used to visualize interaction types when depicting protein-ligand interactions has been updated to accommodate the two new interaction types.
A new method,
OE2DActiveSiteDisplay::IsValid, has been added that is checked by all Grapheme TK API points.
OEResidueSVGStandardMarkupclass now takes a separator option.
The following API, introduced in the 2017.Jun release for marking up residue circles in SVG images generated by the
OERenderActiveSitefunction, is no longer preliminary and is now also available in both Java and C#:
Minor bug fixes¶
The algorithm used by the
OE2DActiveSiteDisplayfunction to scale and position residues around ligands has been improved.
OERenderActiveSiteis now able to generate images when some ligand atoms have identical 2D coordinates.
OERenderActiveSitenow throws a warning if an interaction cannot be rendered.
The API for marking up residues in SVG images is now fully supported in Java (see the list above).
The API for marking up residues in SVG images is now fully supported in C# (see the list above).