Chemical Terms filter doesn work in beta (anymore)?
If I use the chemical terms filter (lipinski, ghose ect) in the 200610171010 version
it says "no query specified". But I remember it worked before.
I used two independent versions and different DBs and it does not work.
Have you specified a search type?
If you leave it as 'Ignore' then any expression will be ignored.
You need to specify a query type even if the structure is empty.
I remember I could enter a term and press search and
it would return all results. What query type should I
define? OK I can define a structure query ALL or in SMARTS: *
I also read "This filter is applied to each result of the search and used as an additional filter for the search results"
Even if this follows a certain logic, it is not very intuitive to request to set a structure before. The way it was in the first version, by setting a chemical term and then search for it
instantly was much better.
No, you do not need to specify a structure. It can be empty.
But you do need to specify a search type (e.g. substructure). If you leave it as ignore it will be ignored!
thanks, in the 200610171010 developer version there is no ignore option,
so you have to define a substructure as A (SMARTS *) otherwise
it does not work.
However I just installed the Milestone 5 (M5) version and there
you have an ignore option and only if you select substructure
then you are allowed to perform a term filtration.
So this changed from V1 to V2 and even the different milestone
versions M3 and M5 behave differently. And officially the M3 and M5
milestone versions are named 2.0 Beta 8(?) so quite a lots of new updates recently :-)
Base Version: Instant JChem Version 2 Current Update: 2.0 JChem Version: 3.2.9.ijc Marvin Version: 4.1.11 (build date: 2007-8-6)
Yes, we're had lots of test versions recently. Too many really!
But the 2.0 release is now finally out. This superceed all previous versions, and should be used.