Mol file and special characters

Hello,





I am creating an SD file which needs to be compatible with MDL ISIS applications.





I was using the code below

Code:

String s = mol.toFormat("mol");

and my SD file was invalid.





By adding the line below

Code:

s = s.replaceAll("\n", System.getProperty("line.separator"));

my SD file is compatible.


Would it be possible to make it the default behaviour of the Molecule.toFormat method?





Thanks


Catherine

Quote:

Would it be possible to make it the default behaviour of the Molecule.toFormat method?

No, it is not possible. It would cause compatibility and other problems (both in our programs and in our users one).


If you would like to use system dependent line separator, use the MolConverter API. In the constructor of MolConverter, you can specify the usage of system dependent line separator.


By the way, the MolConverter application writes system dependent line separators in the output file.

Thanks, I will use MolConverter.


Catherine