PICTO 4.6.0¶

Fall 2022

New features¶

The ability to display explicit hydrogens in the sketcher from input SMILES, and when opening files with explicit hydrogens, has been added.
Aromatic views for Kekule, Circle, and Dashed has been added.
A “Fit in Window” feature has been added.
The ability to toggle display hydrogens has been added.
A toggle to display super atoms has been added.
The ability to display atom labels based on stereo, locants, indices, and atom annotation maps has been added.
When an atom is clicked in the sketcher, the input cursor will move to that atom in the SMILES to allow easier modification of the SMILES input at a specific location of the molecule.
Deleting mulitple molecules when selecting with the eraser is now available.
The ability to highlight multiple molecules when selecting through SMILES input has been added.

PICTO now properly highlights selected SMILES input in sketcher.
SMARTS queries and Send to SMARTS now works with separate molecules (separated by a pipe in the SMILES input).
Files with explicit hydrogens will now display the explicit hydrogens and allows a query to match with the explicit hydrogens.

An issue where Compound Name displays were not properly formatted has been fixed.
An issue where atoms with an atomic number of 119 and above were not displayed with their atomic number has been fixed.
Highlighted atoms from SMARTS query matches now resets after the SMARTS query is deleted.
When the selection in sketcher is unselected, the corresponding input selection in the SMILES will now be unselected.
The checkbox for retaining explicit hydrogens now resets when the molecule displayed as SMILES has explicit hydrogens converted to implicit, which happens when selections are made in the SMILES .

Minor internal improvements have been made.