Hi,
I'm trying to calculate BCUT descriptors on an SD file (JChem 6.2.2, Windows 7) using the following command:
generatemd c input.sdf -k BCUT -c config.xml -o output.txt
The config .xml file looks like this, taken straight from your web site:
<BCUTDescriptors>
<BCUT Type="Charge" Lowest="1" Highest="1" />
<BCUT Type="Polarizability" Lowest="1" Highest="1" />
<BCUT Type="HBond" Lowest="1" Highest="1" />
</BCUTDescriptors>
If I run the command, nothing happens, I just get 'Check configuration fil config.xml'.
Please advice.
Kind regards,
Evert