Re: [Rdkit-discuss] MolBlock for a fragment

2012-05-24 Thread Greg Landrum
On Thu, May 24, 2012 at 3:38 AM, Andrew Dalke wrote: > > I would like to save the fragment to an SD file. This seems > reasonable on the surface. But I don't know enough about the SD > file to know how meaningful that is. (For example, the above as > a 'fragment SMILES' is 'cc', which some program

Re: [Rdkit-discuss] MolBlock for a fragment

2012-05-24 Thread Gianluca Sforna
On Thu, May 24, 2012 at 3:38 AM, Andrew Dalke wrote: > I would like to save the fragment to an SD file. This seems > reasonable on the surface. But I don't know enough about the SD > file to know how meaningful that is. (For example, the above as > a 'fragment SMILES' is 'cc', which some programs