mosaic view of structures

Dear Developers,

Is it possible to introduce into instat jchem an option to show a database structures like in marvin "cell" format with multiple rows and columns?

 

best,

Dmytro

 

We don't currently support this way of displaying structures, but we have it on the plans. It should appear in a future version.

Tim

tdudgeon wrote:

We don't currently support this way of displaying structures, but we have it on the plans. It should appear in a future version. Tim

Thank you for the reply.

As another feature request I would suggest a possibility to pick a structure from the browse window and then it is highlithed and its ID to be added to a selection list. This way one can intuitively select compounds from a wider list.

thanks.

Dmytro

You can use the list management features to do this, but its currently a bit cumbersome to do this interactively. We are planning on improving this to make it a simple "one click" operation.

Currently your best options is probably to:

1. select the row(s) you want to add.

2. click on the "Save as list" button in the toolbar. A new list with those rows will be created.

3. Go to the Lists and queries window and use the list operations (first button in the toolbar) to create the union of your new list with your desired list.

4. Delete the temporary list you created.

5. Repeat as desired.

 

As I mentioned, we plan to make this simpler in a future version.

 

Tim

if I can make asuggestion here:

in another cheminformatics package I used to work with, there was always a list called 'Current list'. One could then right-click on objects (structures, IDs, whatever) and choose 'Add to current list'. Once satisfied with the contents of the current list one could rename it to something more useful, and delete the 'Current list'. When subsequently adding something to Current list, a new  Current list would be created.

Yes, we are planning exactly this feature. It will be a useful addition to the list mangement functionality.

Tim