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

Hi again, i really missed something very simple found at the example pdb_to_map_simple.py, so now i got what i wanted. Thanks again and sorry! Claudia Millán ([email protected]) Institut de Biologia Molecular de Barcelona (IBMB-CSIC) Barcelona, Spain 2012/10/9 Claudia Millán Nebot

Hi everyone,

i'm trying to get an xray.structure object from a pdb file, as i'm interested on using both this and a Miller array coming from a reflection file to calculate correlation coefficients between Fobs and Fcalc. For this purpose, i was searching for something that will do the same as the iotbx.pdb.xray_structure.as_pdb_file but the other way around. Is there such a tool? I've look for a while but as i'm new to all that maybe i missed something.

Thanks in advance and my excuses if is a too evident question,

Claudia Millán ([email protected])

Institut de Biologia Molecular de Barcelona (IBMB-CSIC)

Barcelona, Spain