Atom mapping in MMDS

mmds_atommapThe next version of the Mobile Molecular DataSheet is going to add a couple of user interface segments for viewing and editing the atom mapping number property. Shown on the right is the menu bank for providing mapping numbers for an individual molecule. Perhaps not so very interesting in and of itself, but the next step is to construct a slightly more intricate user interface for providing atom-to-atom mapping pairs for reactions.

In case you’re wondering, the answer is yes: this is going somewhere specific. Atom-to-atom mapping is a core prerequisite for getting into the world of reaction transforms.

Leave a Reply

Fill in your details below or click an icon to log in: Logo

You are commenting using your account. Log Out /  Change )

Twitter picture

You are commenting using your Twitter account. Log Out /  Change )

Facebook photo

You are commenting using your Facebook account. Log Out /  Change )

Connecting to %s