Difference between revisions of "Useful scripts (aka smart piece of code)"

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This page is a collection of scripts used to resolve variety of minor problems.  Posts include brief description and the code.  The list is still very short, so there is no hierarchy.
 
This page is a collection of scripts used to resolve variety of minor problems.  Posts include brief description and the code.  The list is still very short, so there is no hierarchy.
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DISCLAIMER: Reasonable effort has been made to test these bits of bash/awk/perl/python programming.  However, there is no guarantee that they are completely bug-free.  Use at your own risk and make sure your data files are always backed up.
  
 
* [[Get systematic absences from .sca file]]
 
* [[Get systematic absences from .sca file]]
 
* [[Print the shifts in individual atom positions]]
 
* [[Print the shifts in individual atom positions]]
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* [[Calculate average I/sigma from .sca file]]
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* [[Renumber files]]
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* [[Split NMR-style multiple model pdb files into individual models]]
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* [[Combine multiple pdb files into NMR-style model]]
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Back to [[Xtal computing]]

Latest revision as of 17:53, 6 October 2011

This page is a collection of scripts used to resolve variety of minor problems. Posts include brief description and the code. The list is still very short, so there is no hierarchy.

DISCLAIMER: Reasonable effort has been made to test these bits of bash/awk/perl/python programming. However, there is no guarantee that they are completely bug-free. Use at your own risk and make sure your data files are always backed up.

Back to Xtal computing