list search in IJC

User 1ab7ec7385

11-02-2009 16:45:16


How can I import a list for query search? 

thanks, Panni

ChemAxon fa971619eb

11-02-2009 17:03:07

Are you meaning to restrict a query to a list of IDs (e.g. CD_ID values)?

If so then there are 2 options.

1. You can create a new list in the List & Query window, and import the IDs into that list. Do this by:

- r-click on permanent queries node and choose Create list... or Import list..

- import the list e.g choose the file or use copy & paste. Format is one ID per line (copy & paste also supports comma separated)

- give the list a name

-close the editor

Then in the query builder window use the Domain combo box to restrict the query to that list, and any query terms that you enter will be restricted to that list.

This list can be re-used at any time in the future (including after an IJC restart if the list is a permanent list).

2. Add the appropriate field to the query builder, chose the "In List" operator and paste in the values (format is comma separated). This will include those IDs as part or the query.

I hope one of these options helps.


User 1ab7ec7385

11-02-2009 17:17:35

Hi Tim,

Thanks for your answer. I'm using IJC 2.4.1 and I still can't import any list file...

I have a list of molIDs in a text file (around 500) so how should I do it?

Thanks, Panni

ChemAxon fa971619eb

11-02-2009 18:04:42

I created a short animation to illustrate this.

Let me know if anything is still unclear.


User 1ab7ec7385

12-02-2009 11:14:42

Hi Tim,

Thanks for the video, yet  I have found my problem: my list contains letters and numbers too (ZINC codes and the list option does not recognize it. Is there any option to work with this?


ChemAxon fa971619eb

12-02-2009 11:19:49

No, currently the list management functionality must use the integer ID field values (e.g the values of the CD_ID column for a structure table).

We do plan to enhance this in future to allow other fields to be used but this is not currently possible.

You could query for those values (e.g using the In List operator and a comma separated list of values), but this may have some limitations in terms of the number of values in the list.


User 1ab7ec7385

12-02-2009 11:25:57

Ok, thanks :)