Open Babel / Bugs / #938 Substructure matching problem

#938 Substructure matching problem

Milestone: 2.0_alpha-beta

Status: open

Owner: nobody

Labels: substructure index search (1)

Priority: 1

Updated: 2014-07-22

Created: 2014-07-22

Creator: Witek Mozga

Private: No

I have a structure in the database: Cn1ccc(=O)n(c1=O)O
When I`m searching via fastsearch index for this smiles: O=c1cc[nH]c(=O)n1O which is apparent substructure, there are no results (structures attached)

1 Attachments

example.png

Discussion

Witek Mozga - 2014-07-22

2.3.2 not 2.0_alpha

If you would like to refer to this comment somewhere else in this project, copy and paste the following link:

Substructure matching problem

Group

Searches

Help

#938 Substructure matching problem

Discussion