Displaying names of molecules

User 59578e49cf

23-10-2013 08:46:10

A technical proposal: I think it could be useful to display the name of the molecule after file opening, for instance with the Marvin sketcher. E. g., I often save selected molecules (and their names) from our in-house database into one SD file and open this with Marvin. While opening it is only possible to browse through the structures, but names are not displayed. I would also like to have these names somewhere after opening, e. g. in the title row of the program window. Or is this possible yet and I just do not know how to use this feature?

ChemAxon 5433b8e56b

27-10-2013 13:57:05

Hi,


we are considering your proposal, and we are appreciate your contribution. Feel free to post us more ideas, we are welcome every improvement idea.


Here are some question about your proposal:
- you mean the content of the name field in the SDF file, or the generated name of the molecule?
- what should in your opinion the application do, when the structure changes? Generate the IUPAC name of the new structure, or  just simply remove the name from the UI?
- would it be useful if you can see the contents of the name field in the Open file dialog? If yes where you think we should put it?


Besides, can you share us some thoughts about why it is a useful information for you, and how can you benefit if you have this information on screen?
Could you please also consider whether the "Structure>Structure to Name>Place IUPAC name" functionality is suitable for your needs or not?


Currently we are examining when and how we can create this feature, and the answers can be a useful input for us, but in this stage we can not promise anything about when and even if this feature would be included or not, but after we got your answers, and had the time to consider the request we will notify you about the decision in this topic.


Thank you again for the contribution, and best regards,
Istvan 

User 59578e49cf

28-10-2013 10:33:18

Dear Istvan,


Thank you for your answer! Regarding your questions:



I think the option to see mol IDs is not only useful within the select molecules dialog. E. g., if one opens a sdfile with 5 structures and calculates pKa values, 5 windows would be displayed in parallel. It would be helpful if the headline of all of these windows does not only contain "pKa" but "pKa of mol ID" (if a mol ID is available). This would allow to easily select the right window for studying or copying the results.


Best regards,
Christian

ChemAxon 5433b8e56b

05-11-2013 11:39:57

Hi Christian,


we will consider the request in the upcoming few weeks, since we are in the planning phase of the next major release, and just closing the 6.2 version developments in these days.


We will keep you informed in this topic, if we have a decision about when we will able to implement this improvement.


Thank you for your patience in the mean time, and thank you for your specific and valuable answer.


Best regards,
Istvan