use of skipAtomValues

Hello,

I have sdf files exported from ChemOffice that shows numbers at the atoms in Marvinview. I think the reason is the additional lines beginning with "V" in the moldata block. This stands for atom values. I found in the documentation from chemaxon that molconvert and molimporter have the option "skipAtomValues". I am not able to use this option with sucess. Any hints?

Andreas

Hello,

I was not able to reproduce the problem. Can you attach an example problematic file and a code example you use?

I tried the following:    molconvert mrv value.mol{mol:skipAtomValue}
The resulting mrv does not contain the value.

Using MolImporter, I would write:

MolImporter mi = new MolImporter("value.mol", "mol:skipAtomValue");

I hope this will help!

Peter

Many thanks Peter. With your hints I use now the command line:

molconvert sdf old_name.sdf{sdf:skipAtomValues} > new_name.sdf

to get rid of the unwanted numbers. How to use the option "skipAtomValues" was not clear.

Andreas