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

Claudia Millán Nebot cmncri at ibmb.csic.es
Tue Oct 9 01:08:15 PDT 2012

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 (cmncri at ibmb.csic.es)

Institut de Biologia Molecular de Barcelona (IBMB-CSIC)

Barcelona, Spain
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