Re: [Rdkit-discuss] Atom Symbol Case in MolFile?

Hi Greg, Thanks for that. Why do I ask? Because the sdf files [1] distributed by the wwPDB, such as this one: http://www.rcsb.org/pdb/files/ligand/CQ8_ideal.sdf from this page: http://www.rcsb.org/pdb/ligand/ligandsummary.do?hetId=CQ8 are upper-cased. I didn't know whether that was

Re: [Rdkit-discuss] Atom Symbol Case in MolFile?

Paul, On Tue, Jan 19, 2016 at 7:59 PM, Paul Emsley wrote: > > Thanks for that. > > Why do I ask? Because the sdf files [1] distributed by the wwPDB, such as > this one: > > http://www.rcsb.org/pdb/files/ligand/CQ8_ideal.sdf > > from this page: > >