I do have several connected questions. So maybe I'd better start with explaining my goal.
The goal is to standartize the visualization for all molecules we have in DB) With minimal amount of manual work.
1. So we have a number of templates that we want to use (about 300 I think). The question is will this work with several templates retrieved by internal sql:
'sep=~ config:clean:tb~cleaningTemplate:select structure from templa where id in(1,2,3)~outFormat:mol')
from chem_structs c
And if it does work - what is the sequence of applying templates?
2. a) If I'm applying template clean to several structures is there a way to find out was it applied successfully or not? and in case of using several templates - find out what are the templates that were successfully applied?
b) if the 'template' is substructure of the 'structure' (here I mean that 'structure' will be the hit when using jc_compare with 't:s' param with 'template' as input) it will always be applied or is there any threshold?
Actually, I saw some examples when 'structure' is found using substructure search by 'template', but performing template clean didn't give output different than original 'structure'.
3. Will the orientation of all molecules to which template clean was successfully applied be the same (in template part of course)
Oracle Database 11g Enterprise Edition Release 22.214.171.124.0 - 64bit Production
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