User f3a11790a9
03-07-2013 13:52:03
Hi,
We are using the following logic to convert a v3000 molfile into a v2000 molfile.
mol = MolImporter.importMol( v3000molText )
v2000molText = MolExporter.exportToFormat(mol, "mol:V2");
This works fine, except the Salt Multiplicity is lost outside the brackets. Specifically, in the v2000 mol file, the following entry is missing, due to which the salt multiplicity outside the bracket is missing.
M SMT 2 2
Please can you help. Please let me know if more information is needed.
We could also use the below code to get the v2000 format, and this results the correct multiplicity, but some specific stereochemistry flags are missed in this case.
var client = new RegistryServiceClient())
v2000molText = client.GetMolfile(id, idType, "mol:V2");
Regards
Raju