01-10-2005 09:54:04
I downloaded and installed the latest MarvinBeans and replaced the MarvinBeans.jar in my application. However, when I now try to generate smiles against the same set of compounds which used to work before,it writes somewhere in the middle (actually close to the beginning of the set ):
"Some features of *COCOCO* cannot be converted to smiles/cxsmiles. Use the smarts or cxsmarts format." It used to work perfectly well with the old version.
Is there any way to avoid it?
I looked up in the forum - found something where it says that these messages would go away in version 4.0.I guess I downloaded the one which is marvinbeans-4.0.1-win_vm.exe.
"Some features of *COCOCO* cannot be converted to smiles/cxsmiles. Use the smarts or cxsmarts format." It used to work perfectly well with the old version.
Is there any way to avoid it?
I looked up in the forum - found something where it says that these messages would go away in version 4.0.I guess I downloaded the one which is marvinbeans-4.0.1-win_vm.exe.