I have the Bingo server running nicely with my MSSQL server and substructure searches are working and I can get the output of a highlighting search generated too.
id smiles and highlighting and the contents of the highlighting column are Molv V3000 files. e.g.
-INDIGO-04101710292D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 24 24 0 0 0 M V30 BEGIN ATOM M V30 1 C 4.330127 1.500000 0.000000 0 M V30 2 C 4.330127 0.500000 0.000000 0 M V30 3 O 3.464101 0.000000 0.000000 0 M V30 4 C 2.598076 0.500000 0.000000 0 M V30 5 C 1.732051 0.000000 0.000000 0 M V30 6 C 0.866025 0.500000 0.000000 0 M V30 7 O 0.866026 1.500000 0.000000 0 M V30 8 C 1.732051 2.000000 0.000000 0 M V30 9 C 2.598076 1.500000 0.000000 0 M V30 10 O 1.732051 3.000000 0.000000 0 M V30 11 C 0.000000 0.000000 0.000000 0 M V30 12 O -0.866025 0.500000 0.000000 0 M V30 13 C -1.732051 -0.000000 0.000000 0 M V30 14 C -1.732051 -1.000000 0.000000 0 M V30 15 O -2.598076 0.500000 0.000000 0 M V30 16 C 0.000000 -1.000000 0.000000 0 M V30 17 O -0.866025 -1.500000 0.000000 0 M V30 18 C -0.866026 -2.500000 0.000000 0 M V30 19 C -0.000000 -3.000000 0.000000 0 M V30 20 O -1.732051 -3.000000 0.000000 0 M V30 21 C 0.866025 -1.500000 0.000000 0 M V30 22 O 0.866026 -2.500000 0.000000 0 M V30 23 O 1.732051 -1.000000 0.000000 0 M V30 24 O 5.196153 0.000000 0.000000 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 1 2 3 M V30 3 1 3 4 M V30 4 1 4 5 M V30 5 1 5 6 M V30 6 1 6 7 M V30 7 1 7 8 M V30 8 1 8 9 M V30 9 2 8 10 M V30 10 1 6 11 M V30 11 1 11 12 M V30 12 1 12 13 M V30 13 1 13 14 M V30 14 2 13 15 M V30 15 1 11 16 M V30 16 1 16 17 M V30 17 1 17 18 M V30 18 1 18 19 M V30 19 2 18 20 M V30 20 1 16 21 M V30 21 1 21 22 M V30 22 1 21 23 M V30 23 1 23 5 M V30 24 2 2 24 M V30 END BOND M V30 BEGIN COLLECTION M V30 MDLV30/HILITE BONDS=(4 2 3 4 5) M V30 MDLV30/HILITE ATOMS=(5 2 3 4 5 6) M V30 END COLLECTION M V30 END CTAB M END
The question I have is there are web .js rendered which can display this MOL V3000 file and show the hlighlighted substructure ? Ketcher v1.x and v2.x does seem to. So I am wondering what to use.
I can see that there might be a couple of issues, since the exmple above doesn't have line breaks so when I converted to look like this, I get parsing errors.
-INDIGO-04101710292D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 24 24 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.330127 1.500000 0.000000 0
M V30 2 C 4.330127 0.500000 0.000000 0
M V30 3 O 3.464101 0.000000 0.000000 0
M V30 4 C 2.598076 0.500000 0.000000 0
M V30 5 C 1.732051 0.000000 0.000000 0
M V30 6 C 0.866025 0.500000 0.000000 0
M V30 7 O 0.866026 1.500000 0.000000 0
M V30 8 C 1.732051 2.000000 0.000000 0
M V30 9 C 2.598076 1.500000 0.000000 0
M V30 10 O 1.732051 3.000000 0.000000 0
M V30 11 C 0.000000 0.000000 0.000000 0
M V30 12 O -0.866025 0.500000 0.000000 0
M V30 13 C -1.732051 -0.000000 0.000000 0
M V30 14 C -1.732051 -1.000000 0.000000 0
M V30 15 O -2.598076 0.500000 0.000000 0
M V30 16 C 0.000000 -1.000000 0.000000 0
M V30 17 O -0.866025 -1.500000 0.000000 0
M V30 18 C -0.866026 -2.500000 0.000000 0
M V30 19 C -0.000000 -3.000000 0.000000 0
M V30 20 O -1.732051 -3.000000 0.000000 0
M V30 21 C 0.866025 -1.500000 0.000000 0
M V30 22 O 0.866026 -2.500000 0.000000 0
M V30 23 O 1.732051 -1.000000 0.000000 0
M V30 24 O 5.196153 0.000000 0.000000 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 3 4
M V30 4 1 4 5
M V30 5 1 5 6
M V30 6 1 6 7
M V30 7 1 7 8
M V30 8 1 8 9
M V30 9 2 8 10
M V30 10 1 6 11
M V30 11 1 11 12
M V30 12 1 12 13
M V30 13 1 13 14
M V30 14 2 13 15
M V30 15 1 11 16
M V30 16 1 16 17
M V30 17 1 17 18
M V30 18 1 18 19
M V30 19 2 18 20
M V30 20 1 16 21
M V30 21 1 21 22
M V30 22 1 21 23
M V30 23 1 23 5
M V30 24 2 2 24
M V30 END BOND
M V30 BEGIN COLLECTION
M V30 MDLV30/HILITE BONDS=(4 2 3 4 5)
M V30 MDLV30/HILITE ATOMS=(5 2 3 4 5 6)
M V30 END COLLECTION
M V30 END CTAB M END
When I tired to use your highlighting example from anohter thread this was loaded into Ketcher but this doesn't display highlights either c.f.
Many thanks. Karl