missing charge on carbocation in 5.11.4

I am having problems with rendering carbocations correctly.

Prior to 5.3.8 the + signs appeared correctly (though somewhat far away from the actual carbon atom carrying the charge).

In 5.3.8, 5.4.0, and 5.4.1 those + signs mostly disappeared altogether.

Since 5.6.0.4 most of them seem to have come back, but I occasionally run into a situation such as here in 5.11.4 where I'm expecting to see a charge but it does not appear.

The odd thing in this situation is that 5.3.8 correctly display the + sign, but 5.6.0.4 and 5.11.4 do not. Is this specific to the cycloheptatrienyl cation or is this a sign of a broader flaw in the rendering of charges on carbon atoms?

Please let me know. This could be a make-or-break item for deciding on an upgrade trajectory.

 

Thanks,

   Michiel

Dear Michiel,

It is definetly a bug. Thank you for reporting it! It is planed to be fixed in version 5.13

Best Regards,

Efi.

ehoffmann wrote:

Dear Michiel, It is definetly a bug. Thank you for reporting it! It is planed to be fixed in version 5.13 Best Regards, Efi.

Continuing that line of thought. It occurred to me that maybe switching to Show Charge in Circle might be beneficial (solve the above problem), except carbocation and carbanion charges are not rendered in Circles with this option on. (see snapshot)

 

Do you have a timeline for the 5.13 release?

mvanrhee wrote:

ehoffmann wrote: Dear Michiel, It is definetly a bug. Thank you for reporting it! It is planed to be fixed in version 5.13 Best Regards, Efi. Continuing that line of thought. It occurred to me that maybe switching to Show Charge in Circle might be beneficial (solve the above problem), except carbocation and carbanion charges are not rendered in Circles with this option on. (see snapshot)   Do you have a timeline for the 5.13 release?

Also not the red color of the charge. Most of the time it is black, but sometimes (which I cannot reproduce at will) it turns red.

Hi Michiel,

Yes. The solution could be the circled charge. In fact, we tried to do our best (5.12 commit deadline is tomorrow), and currently we can display these structures:

 

I hope this will work for you. The 5.12 released (issued in mid January) will inclued these modifications. However, we need more time to investigate the color change.

Kind Regards,

Efi   

I tried to find an msketch_param to control whether to show charges in circles but could not find one. Our students won't have access to the Preferences settings. What is the best way to make sure that the cricled charges show up when needed?

Thanks,

   Michiel

Dear Michiel,

There is a parameter for that purpose in the ParameterConstants: CHARGE_WITH_CIRCLE. You should set it "true" to see the circled charge label.

See:

http://www.chemaxon.com/marvin/help/developer/beans/api/chemaxon/marvin/common/ParameterConstants.html#CHARGE_WITH_CIRCLE

Thanks,

Eva

ehollo wrote:

Dear Michiel, There is a parameter for that purpose in the ParameterConstants: CHARGE_WITH_CIRCLE. You should set it "true" to see the circled charge label. See: http://www.chemaxon.com/marvin/help/developer/beans/api/chemaxon/marvin/common/ParameterConstants.html#CHARGE_WITH_CIRCLE Thanks, Eva

Thanks for the pointer. FYI: it does not show up in http://www.chemaxon.com/marvin/help/developer/sketchman.html#parameters.chargeWithCircle which your documents links to.

Hi,

Sorry for the misunderstanding, I think it is because it WILL BE RELEASED in the 5.12 documentation. (And Eva can see the developer documentation which already includes it.)

Best Regards,

Efi