Useful scripts (aka smart piece of code): Difference between revisions
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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. | ||
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]] | ||
| Line 5: | Line 7: | ||
* [[Calculate average I/sigma from .sca file]] | * [[Calculate average I/sigma from .sca file]] | ||
* [[Renumber files]] | * [[Renumber files]] | ||
* [[Split NMR-style multiple model pdb files into individual models]] | |||
* [[Combine multiple pdb files into NMR-style model]] | |||
Back to [[Xtal computing]] | |||
Latest revision as of 18:53, 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.
- Get systematic absences from .sca file
- Print the shifts in individual atom positions
- Calculate average I/sigma from .sca file
- Renumber files
- Split NMR-style multiple model pdb files into individual models
- Combine multiple pdb files into NMR-style model
Back to Xtal computing