View source for Useful scripts (aka smart piece of code)

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]]