how to get a name of special structures

User cdc1fd6fff

06-12-2010 08:25:15

Hi,  We like the naming function, and now we have some problem.


We drew two special structures as Marvin taught. but we can not get the name by using Naming function. For the structure with repeated units, the name by Naming function is same with the structure without repeated units. If we want to get the correct name of a stucture with a long chain, we can only draw the complete long chain, Is that so?

ChemAxon e7b9408ca1

07-12-2010 11:47:16

The naming of the first structure (ferrocene) is not supported yet. It requires core changes in Marvin, and is planned for a future release (currently 5.5).


For the repeated units, which group type did you use, and how did you try to generate the name?


For a fixed number of repetitions, you should use "Multiple Group", in which case the correct name will be generated. "Repeating units with repetition ranges" only needs to be used when there are several number of repetitions, for instance a range 3-5. I attach the structure as it should be represented.


I reported this problem to the team responsible for drawing, we are thinking if we can improve the situation to avoid this confusion. Suggestions are welcome.


Marvin 5.4.0 already supports "Multiple Group" (and correctly reports the issue if "Repeating units" is used) when using the Naming entry of the Tools menu. It incorrectly prints the name without repetition when using Insert/IUPAC Name to put the name on the canvas. I just fixed this bug, it will be released soon (probably in version 5.4.1).


Best regards,


Daniel Bonniot

User cdc1fd6fff

08-12-2010 05:23:40


Thank you for help. We are looking forward to the release of  5.4.1

ChemAxon e7b9408ca1

08-12-2010 08:25:24

You're welcome. Version 5.4.1 is planned to be released January 31st, 2011. Until then, I recommend as a workaround to use the Naming entry of the Tools menu, and to use Multiple Groups. I made a proposal to remove the distinction between Multiple Group and Repeating Unit, but that will surely take some time to be implemented (I hope in 5.5.).