2 results found Sort:

zotko
xyz2graph zotko
23
85
isc
1
Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
plotly 3d-plot molecule networkx chemistry xyz-files xyz-reader molecular-graph chemoinformatics atomic-coordinates data-visualization molecular-modeling chemical-structures scientific-computing molecule-visualization computational-chemistry
Created 2018-08-11
185 commits to main branch, last one 22 days ago
radi0sus
xyz2tab radi0sus
7
36
bsd-3-clause
4
Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables
xyz bond orca xmol angle table length tables viewer xyz-files xyz-reader xyz-viewer coordinates visualization best-fit-plane torsion-angles dihedral-angles dft-calculations molecule-visualization orca-quantum-chemistry
Created 2021-11-18
155 commits to main branch, last one about a year ago