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geometric transformations of molecular structures

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Name		Name	Last commit message	Last commit date
LICENSE		LICENSE
NOTES.txt		NOTES.txt
README.md		README.md
geotraf.py		geotraf.py
test.xyz		test.xyz

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geotrafo

commandline manipulation of molecular coordinates.

rotation around arbitrary axis

run geotrafo -h for help

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geometric transformations of molecular structures

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