User cf4264f752
09-07-2012 10:29:52
Hi all,
Generating svg from struct.mol file gives me just the letter A. I use the following query
SELECT jc_molconvert((select structure from chem_structs where unit_id = -290265723), 'svg:H_off') FROM dual
and get sturct.svg
It doesn't seem to be the right behaviour.
alena
ChemAxon 044c6721bc
09-07-2012 14:27:27
Hi Alena,
This is the normal behaviour, because the file contains a contracted s-group. Try to expand the molecule in the molfile.
Janos
User cf4264f752
10-07-2012 16:23:14
Janos,
Thanks for your answer. I have sequential question - if there is any JChem search function or some other way to determine such kind of files with contracted s-groups?
alena
ChemAxon 044c6721bc
11-07-2012 09:10:21
Ha Alean,
There is no function in jchem for this. You can use this API function:
public static boolean containsContractedSgroup(Molecule m) {
for(Sgroup sg : m.getSgroupArray()) {
if(sg.getXState() == Sgroup.XSTATE_C) {
return true;
}
}
return false;
}
Janos