CCL: remove salts from compounds

 Sent to CCL by: Christoph Allolio [Christoph.Allolio]_[]
 Zitat von "amit dong dongamit123a/"
 Is there any free tool that can be used for removing ions/salts from a large
 library of compounds?
 Hi Amit
You may use the OpenBabel API (GPL), which has a StripSalts functionality. The molecule may be loaded for example from a SMILES string. It however only strips a disconnected fragment of a size smaller than a specified number of atoms. This can be implemented within a few lines of code and is suitably fast for several tens of thousands of molecules to be processed within a few minutes.
 If there is a better free way i'd like to know it too.
 Christoph Allolio