Bond button and heteroatoms

It would be convenient if the bond type that is displayed in the Bond button applied regardless of whether one is drawing a bond to C or to a heteroatom. If I want to draw a compound with five Single Up bonds to O, I need to draw out each bond to O, then convert each one separately to Single Up. I would rather change the Bond tool to Single Up, then have it apply to each subsequent bond I drew.





Nice to see you fixed the Forum redirect problem, by the way.

Do you mean you want to select bonds around an atom and change them at once?





By the way, is there an oxigen having 5 single bonds? Sounds strange, though I am not a chemist. :-)

Tamas wrote:

Do you mean you want to select bonds around an atom and change them at once?

I want to draw five C-O bonds, all of which are Single Up. I want to make the Single Up bond appear on the Bond button, press the O atom, and then draw five Single Up C-O bonds.





What you suggest would also be useful. I select five bonds, then change the bond tool to Single Down. All the bonds that I have selected should change to Single Down.

Tamas wrote:

By the way, is there an oxigen having 5 single bonds? Sounds strange, though I am not a chemist. :-)

No, there isn't. See the structure below.

We will discuss it.

OK, selected bonds can be changed to up/down in the next version (3.5.2).

cspeter wrote:

OK, selected bonds can be changed to up/down in the next version (3.5.2).

Good! How about the other feature? After I select Single Up in the Bond button, then I choose a heteroatom, all bonds that I draw to that heteroatom are Single Up.

Exactly. What's wrong with it? You can draw single up bonds to heteroatoms exactly the same way as you draw them to C atoms.

cspeter wrote:

Exactly. What's wrong with it? You can draw single up bonds to heteroatoms exactly the same way as you draw them to C atoms.

No, I can't. If I want to draw a Single Up bond to C, I can choose Single Up from the Bond tool, then draw a bond to C -- one step. If I want to draw a Single Up bond to O, I need first to draw a regular bond to O, then change it to Single Up, or first to draw a Single Up to C, then change C to O -- two steps. The bond to O is always drawn as a regular bond, regardless of what bond the Bond button shows. I am asking you to change Marvin so that whatever bond the Bond button shows is the kind of bond that is drawn to C or a heteroatom.

Strange, I cannot reproduce your bug.


1. put a C


2. put an O


3. choose single up in the bond button.


4. press the mouse button over C, drag the mouse to O, then release the button


Now I see a single up bond connecting C and O. Do you have a regular bond here?


I tried it with marvin 3.5.1. What version do you use?

cspeter wrote:

Strange, I cannot reproduce your bug. 1. put a C 2. put an O 3. choose single up in the bond button. 4. press the mouse button over C, drag the mouse to O, then release the button Now I see a single up bond connecting C and O. Do you have a regular bond here? I tried it with marvin 3.5.1. What version do you use?

I am not talking about a bug. I am talking about a new feature. Here is what I want to do:





1. Draw pentane.


2. Choose Single Up from the Bond button.


3. Press the O button.


4. Draw up OH groups attached to C(2), C(3), and C(4).





Yes, you are right, you can draw a bunch of atoms and then put in the Single Up bonds. But this new feature would save keystrokes by allowing the Single Up bond and O atom to be installed in one step. It also makes more intuitive sense than what is currently available in Marvin.

OK, I understand it now. I implemented it. The last selected bond type is used always for branching.

cspeter wrote:

OK, I understand it now. I implemented it. The last selected bond type is used always for branching.

Good! In what version can we expect to see the new feature?

In 3.5.2