[cctbxbb] Going from a pdb file to an x_ray_structure object
Claudia Millán Nebot
cmncri at ibmb.csic.es
Tue Oct 9 01:46:04 PDT 2012
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)
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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