Remove disconnected structures of compounds

54 Views Asked by At

I am uploading 3 different chemical files to my application, one at a time. Each file contains SMILE of compound, but the tag name is different. I am creating an IAtomContainer stream by reading file. I want to remove the disconnected structures from the stream. Is there any way to remove it instead of manually checking SMILES. I am using cdk 1.5.13.

1

There are 1 best solutions below

0
On BEST ANSWER
ConnectivityChecker.isConnected(IAtomContainer);

this is working. Its returning boolean value.