Loading PDB files.

I would like to be able to load a PDB file using the PDBReader class and then write code to convert the MacroMolecule to my own data objects. However, I've noticed that a lot of the information (e.g. SEQRES data, COMPND info) isn't accessible. Is there anyway to get this data?

I've never thought about this type of usage of PDBReader, this is why the API does not provide the appropriate query methods to access SEQRES and other data you mentioned. If you need them, we can implement such functions and make them available in the next release of Marvin.





Regards,


Miiklos

palmer wrote:

I would like to be able to load a PDB file using the PDBReader class and then write code to convert the MacroMolecule to my own data objects. However, I've noticed that a lot of the information (e.g. SEQRES data, COMPND info) isn't accessible. Is there anyway to get this data?

Not yet, though as said before: if needed, we will implement it.