coordination-chemistry

There are 9 repositories under coordination-chemistry topic.

  • OctaDist/OctaDist

    A tool for calculating distortion parameters in coordination complexes.

    Language:Python153123
  • PorphyStruct

    JensKrumsieck/PorphyStruct

    Structural Analysis of Porphyrinoids & Corrinoids

    Language:C#91142

  • radi0sus/xyzoverlay

    Python 3 script for overlaying or superimposing two or more molecules. The overlayed / superimposed molecules can be displayed and the modified coordinates can be saved as xyz files. Coloring by atom or molecule is possible.

    Language:Python8212

  • radi0sus/xyzalign

    Align atomic coordinates in xyz files. Align one or more atoms to x-, y- and z-axes. Set origin to a selected atom or a centroid of selected atoms. Rotate atomic coordinates about arbitrary angles. Translate atomic coordinates.

    Language:Python5201

  • JensKrumsieck/porphystruct-scripts

    This Repository contains my companion scripts to PorphyStruct. Feel free to use, steal some code or do whatever you like 😎

    Language:Jupyter Notebook110

  • OctaDist/OctaDist-PyPI

    OctaDist package for PyPI.

    Language:Python1100
  • OctaDist.github.io

    OctaDist/OctaDist.github.io

    Official website of OctaDist program.

    0201

  • JensKrumsieck/TauXplore

    Calculate τ (Tau) Values (Geometry Index) for 4- and 5-coordinate complexes.

    Language:C#10

  • radi0sus/tau-calc

    Calculates the geometry indices tau_4 and tau_5 from crystallographic information file (CIF)

    Language:Python20