How does partial clean works?

Hi all,

I'm trying to apply partial clean to some structures and cannot find any difference from initial structure. 

So the question is for what structures it works?

here is the code I'm using (we have JChem Cartridge only):

 

select jc_standardize(c.structure,


        'config:clean')


        from chem_structs c;

 

Environment:

Oracle environment: 


Oracle Database 11g Enterprise Edition Release 11.2.0.4.0 - 64bit Production


PL/SQL Release 11.2.0.4.0 - Production


CORE	11.2.0.4.0	Production


TNS for Linux: Version 11.2.0.4.0 - Production


NLSRTL Version 11.2.0.4.0 - Production






JChem owner: JCHEM_GG_EDITORIAL






JChem Server environment: 


Java VM vendor: Oracle Corporation


Java version: 1.7.0_67


Java VM version: 24.65-b04


JChem version: 15.1.12.0


JChem Index version: 14102000


JDBC driver version: 11.2.0.3.0

Thanks,

Alena

Hi Alena,

Partial clean did not work properly in JChem 15.1.12.0, see history of changes. Please upgrade to version 15.2.2.0 or later to fix this issue.

We can provide some examples to demonstrate the difference between full and partial 2D clean, if needed.  

Thanks a lot for your answer!

Actually I wouldn't mind getting some examples because unfortunately upgrade is not a very quick procedure (here I mean not upgrade itself, but coordinating everything) and I'd like to have an idea of difference between partial and full clean.

Partial clean: non-invasive 2D clean, rearranges only the parts of the molecule with wrong bond angles and lengths. Fallbacks to full clean in case of failure.
Full clean: assigns new 2D coordinates to each atom in the molecule. 

I have attached an example.

thanks a lot for explanation and examples