Manipulations on molecular geometries in Python
grindhold d4dcb4f644 added requirements.txt | il y a 5 ans | |
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elrotador | il y a 5 ans | |
.gitignore | il y a 5 ans | |
LICENSE | il y a 5 ans | |
README.md | il y a 5 ans | |
requirements.txt | il y a 5 ans | |
setup.py | il y a 5 ans |
Performs simple geometrical deformations on molecular geometries
Please note that this module is the result of a hobbyist application and merely supports what I need for my own studies. Elrotador does not aim to be a full-fledged generic solution for performing manipulations on molecular geometries.