Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with conformational-analysis
A curated list of projects in awesome lists tagged with conformational-analysis .
https://github.com/patonlab/wsterimol
Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents
conformational-analysis organic-chemistry pymol pymol-plugin qsar steric-parameters sterics sterimol sterimol-parameters
Last synced: 23 Oct 2024
https://github.com/jenskrumsieck/porphystruct
Structural Analysis of Porphyrinoids & Corrinoids
chemistry chemsharp conformation conformational-analysis coordination-chemistry corrinoids corrole csharp helix-toolkit macrocycle macrocycles-conformational-search nsd oxyplot porphyrinoids porphystruct simulation tetrapyrroles tu-braunschweig xray-crystallography
Last synced: 19 Dec 2024
https://github.com/giatraskon/algorithms-in-structural-bioinformatics-assignments
Assignments from the 'Algorithms in Structural Bioinformatics' graduate course, exploring RNA folding, molecular conformational analysis, and protein structure comparison using Python and bioinformatics tools.
alphafold2 bioinformatics biopython chimerax computational-biology conformational-analysis crude-energy-minimization jupyter-notebook protein-structure-analysis pymol python rmsd rna-folding root-mean-square-deviation sars-cov-2 secondary-structure-elements serotonin structural-bioinformatics structural-biology structure-visualization
Last synced: 13 Dec 2024
https://github.com/jenskrumsieck/tauxplore
Calculate τ (Tau) Values (Geometry Index) for 4- and 5-coordinate complexes.
chemistry chemsharp conformation conformational-analysis coordination-chemistry csharp helix-toolkit tau xray-crystallography
Last synced: 19 Dec 2024
https://github.com/jenskrumsieck/porphystruct-scripts
This Repository contains my companion scripts to PorphyStruct. Feel free to use, steal some code or do whatever you like 😎
chemistry conformation conformational-analysis coordination-chemistry crystallography macrocycles macrocycles-conformational-search nsd porphystruct python
Last synced: 19 Dec 2024