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Print the shifts in individual atom positions: Difference between revisions
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Print the shifts in individual atom positions (edit)
Revision as of 16:49, 14 December 2010
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This can be done with one command line (albeit a rather long one). Below is the code with (remove backslashes if pasting as a single line) | This can be done with one command line (albeit a rather long one). It also implies a rather recent version of awk, some older versions won't support the fixed width argument splitting. Below is the code with (remove backslashes if pasting as a single line) | ||
grep 'ATOM\|HETATM' file1.pdb file2.pdb | \ | grep 'ATOM\|HETATM' file1.pdb file2.pdb | \ | ||