Updating structure in IJC

User bf3dbc99cf

07-07-2014 04:26:16

Dear ChemAxon,

I have a database with cd_id 1 to 10,000.

How can I update the structure of 1,000 molecules with cd_id = 2,001 ~ 3,000 using IJC?  The structures are in SD file.


Chong Hak Chae, Ph. D.

ChemAxon 2bdd02d1e5

10-07-2014 09:47:52

Dear Chong, 

It seems not to be doable by a simple GUI action. It may be done by a Groovy script.

For your use case I would see the following workaround:
1. Export the rows you want to update. Export them with all columns.
2. Delete those rows.
3. Import the data from a new file with updated structures. Those however will have new ID's and not the original (2001- 3000).
4. Merge the data you have exported in step #1. Merge it according a unique identifier which is common to the original data (exported in #1) and to the sdf with updated data-set.