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

[Claudia Millán Nebot]

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 (cmncri at ibmb.csic.es)

Institut de Biologia Molecular de Barcelona (IBMB-CSIC)

Barcelona, Spain



2012/10/9 Claudia Millán Nebot <cmncri at ibmb.csic.es>

>
> 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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