H2O shortcut group

One of my students points out that the shortcut group H2O lacks an attachment point. It should have an attachment point and a + charge on the O atom, just like the PPh3 shortcut group.

We support some abbreviations with no attachment points. These are often used in reactions (over the reaction arrow). Most of them are solvents, inorganic acids and bases. H2O is an abbreviated water molecule, not an oxonium ion.

I see. In that case, it would be helpful if you could designate them differently from groups that have attachment points. List them separately as Shortcut Molecules, perhaps. Currently, there's no way to tell whether the Ph3P and H2O shortcuts have attachment points or not. (One does, the other doesn't.)

That's true. I will think about how to differentiate them. However, I frequently just type an abbreviation on the Marvin interface to access it. The separate menu does not help on this.

Gyuri wrote:

That's true. I will think about how to differentiate them. However, I frequently just type an abbreviation on the Marvin interface to access it. The separate menu does not help on this.

That's true. However, you could add a designator to the symbol for the shortcut. E.g., "H2O (mol)". The user could still type just H2O, but the symbol that appeared on the left and at the tip of the arrow would include (mol) to alert the user that it's a whole molecule.

Maybe an "H2O+" abbreviated group will help, but we should first allow + and - characters in abbreviations. What do you think?

Gyuri wrote:

Maybe an "H2O+" abbreviated group will help, but we should first allow + and - characters in abbreviations. What do you think?

Yes, that's a good idea. Be sure to do the same with the Ph3P+, P+Ph3, Et3N+, and N+Et3 abbreviations.

It's released.

Gyuri wrote:

It's released.

Yes, I see. Please add OH2+ to the list. You may want to include PPh3+, NMe3+, and NEt3+ in addition to P+Ph3, N+Me3, and N+Et3. Also, you should superscript the + like you subscript the numbers. Otherwise, looks good!

Many groups are duplicated in the list of abbreviated groups owing to the left-to-right and right-to-left order variants. There are also duplicates when the same group has different abbreviations. Some groups are missing since their abbreviations could be the same as the backward abbreviations of an other groups. We are thinking of improving the abbreviation list format in the near future.