Release 2.7.0
The motivation of this update was to lay the groundwork for the user to create more complex molecules in the interface. One motivating example, in particular, was the creation of Tylenol.
The first feature comes in the form of a visual cue: the user will now have feedback when dragging an attachment over an atom as the atom to be attached to will change color. This color will be a hybrid of the particular atom's color and gray. The goal of this feature is to make it clear a) when a user has dragged an atom to the proper position and b) to which atom the new attachment will be attached. This is useful, for example when creating Tylenol as the attachments to the benzene are oriented at the para position, so it needs to be clear which Carbons in the benzene are being used.
The second feature is that users can now attach basic Carbon skeletons to the molecule as radicals. In the previous creation of Tylenol, the user would have to drag two consecutive Carbon atoms to create the acetyl group attached to the amine group. Now the user can simply drag one ethyl radical to the amine group from the alkanes section of the Skeleton panel on the left. In the future we plan to allow more complex groups/radicals to be attached as well.
Finally, a bug was fixed that occurred when extending a skeleton length from the right side of the skeleton.
Standards - No new standards have been applied for this update: Standard IUPAC naming rules are still followed with attachment of basic Carbon skeletons.
Controls - The controls hopefully have been simplified with this update. Users can now attach both skeletons from the left panel and individual atoms from the bottom panel. The visual cue should also make correct positioning of attachments easier.
Future Considerations - The exact detection of an attachment hovering over an atom MIGHT be changed in the future. Right now it's skewed a bit to the down right direction in order to allow the user to still see the atom to which the new attachment will be attached. This may be tweaked in the future. Plans are in place to allow even more complex radicals and potentially custom radicals to be attached. One motivating case would be allowing a Phenol group to be attached to simplify the creation of the Tylenol molecule even further.
The motivation of this update was to lay the groundwork for the user to create more complex molecules in the interface. One motivating example, in particular, was the creation of Tylenol.
The first feature comes in the form of a visual cue: the user will now have feedback when dragging an attachment over an atom as the atom to be attached to will change color. This color will be a hybrid of the particular atom's color and gray. The goal of this feature is to make it clear a) when a user has dragged an atom to the proper position and b) to which atom the new attachment will be attached. This is useful, for example when creating Tylenol as the attachments to the benzene are oriented at the para position, so it needs to be clear which Carbons in the benzene are being used.
The second feature is that users can now attach basic Carbon skeletons to the molecule as radicals. In the previous creation of Tylenol, the user would have to drag two consecutive Carbon atoms to create the acetyl group attached to the amine group. Now the user can simply drag one ethyl radical to the amine group from the alkanes section of the Skeleton panel on the left. In the future we plan to allow more complex groups/radicals to be attached as well.
Finally, a bug was fixed that occurred when extending a skeleton length from the right side of the skeleton.
Standards - No new standards have been applied for this update: Standard IUPAC naming rules are still followed with attachment of basic Carbon skeletons.
Controls - The controls hopefully have been simplified with this update. Users can now attach both skeletons from the left panel and individual atoms from the bottom panel. The visual cue should also make correct positioning of attachments easier.
Future Considerations - The exact detection of an attachment hovering over an atom MIGHT be changed in the future. Right now it's skewed a bit to the down right direction in order to allow the user to still see the atom to which the new attachment will be attached. This may be tweaked in the future. Plans are in place to allow even more complex radicals and potentially custom radicals to be attached. One motivating case would be allowing a Phenol group to be attached to simplify the creation of the Tylenol molecule even further.
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