Technical Support Forum Index
Technical Support Forum
Access ChemAxon scientists and developers here. For registration and login issues contact website support.
H2O shortcut group
To watch this topic for replies  Register (enables digests) or give email address:
Reply to topic
Display posts from previous:   
    View previous topic :: View next topic    
Author Message
bobgr

Joined: 15 Jun 2004
Posts: 1990

View user's profile
Visit poster's website

Back to top
Link to postPosted: Thu Nov 04, 2004 3:18 pmPost subject: H2O shortcut group Reply with quote

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.
Gyuri
ChemAxon personnel
Joined: 21 May 2004
Posts: 1127

View user's profile

Back to top
Link to postPosted: Thu Nov 04, 2004 4:24 pmPost subject: Reply with quote

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.
bobgr

Joined: 15 Jun 2004
Posts: 1990

View user's profile
Visit poster's website

Back to top
Link to postPosted: Thu Nov 04, 2004 4:28 pmPost subject: Reply with quote

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.)
Gyuri
ChemAxon personnel
Joined: 21 May 2004
Posts: 1127

View user's profile

Back to top
Link to postPosted: Thu Nov 04, 2004 4:43 pmPost subject: Reply with quote

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.
bobgr

Joined: 15 Jun 2004
Posts: 1990

View user's profile
Visit poster's website

Back to top
Link to postPosted: Thu Nov 04, 2004 4:59 pmPost subject: Reply with quote

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.
Gyuri
ChemAxon personnel
Joined: 21 May 2004
Posts: 1127

View user's profile

Back to top
Link to postPosted: Mon Nov 08, 2004 5:36 pmPost subject: Reply with quote

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

Joined: 15 Jun 2004
Posts: 1990

View user's profile
Visit poster's website

Back to top
Link to postPosted: Mon Nov 08, 2004 5:43 pmPost subject: Reply with quote

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.
Gyuri
ChemAxon personnel
Joined: 21 May 2004
Posts: 1127

View user's profile

Back to top
Link to postPosted: Tue Nov 30, 2004 10:24 pmPost subject: Reply with quote

It's released.
bobgr

Joined: 15 Jun 2004
Posts: 1990

View user's profile
Visit poster's website

Back to top
Link to postPosted: Tue Nov 30, 2004 11:22 pmPost subject: Reply with quote

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!
Gyuri
ChemAxon personnel
Joined: 21 May 2004
Posts: 1127

View user's profile

Back to top
Link to postPosted: Mon Jan 24, 2005 3:55 pmPost subject: Reply with quote

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.
Reply to topic
Page 1 of 1


To watch this topic for replies   Register (enables digests) or give email address  
Jump to:  
You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot vote in polls in this forum
You cannot attach files in this forum
You can download files in this forum