Source code for molSimplify.Classes.globalvars ... Built with Sphinx using a theme provided by Read the Docs. Read the Docs v: latest.
Set coordinates of an atom3D class to a new location. Parameters: xyz (list) – List of coordinates, has length 3: [X, Y, Z].
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molSimplify is an open source toolkit for the automated, first-principles screening and discovery of new inorganic molecules and intermolecular complexes.
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In this tutorial, we show how you can use the classes and methods of molSimplify to build your own custom analysis or molecule generation scripts. Feb 5, 2019 ...
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... molSimplify.Scripts.io import (core_load, getgeoms, getinputargs, getlicores, lig_load, loadcoord, loaddata, name_complex) from molSimplify.Classes.atom3D ...
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[](https://molsimplify.readthedocs.io/en/latest/?badge=latest). HTML.
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molSimplify is an open source utility that incorporates geometric manipulation routines nec- essary for the generation of transition metal complexes, ...
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