Re: [cctbxbb] Going from a pdb file to an x_ray_structure object

On Tue, Oct 9, 2012 at 6:24 AM, Claudia Millán Nebot wrote:

I went to my cctbx_sources files, and look for the mmtbx/utils.py, and then realise that on there, the class cmdline_load_pdb_and_data, in is __init__, doesn't expect a prefer_anomalous keyword but a scattering_table one:

def __init__ (self, args, master_phil, out=sys.stdout, process_pdb_file=True, create_fmodel=True, scattering_table="wk1995")

Guess it maybe something related to the version of the cctbx i'm using?

Yes, I added the prefer_anomalous keyword a few weeks ago, so you need to update to a more recent version. -Nat