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macrocycles-conformational-search

Here are 3 public repositories matching this topic...

PorphyStruct

JensKrumsieck / PorphyStruct

Structural Analysis of Porphyrinoids & Corrinoids

csharp chemistry simulation nsd oxyplot conformation conformational-analysis tu-braunschweig macrocycles-conformational-search xray-crystallography helix-toolkit coordination-chemistry porphyrinoids macrocycle corrinoids tetrapyrroles corrole porphystruct chemsharp

Updated Jun 13, 2024
C#

patricklague / ConfBuster

ConfBuster - Open source tools for macrocycles conformational search and analysis

analysis molecule macrocycles-conformational-search

Updated Apr 20, 2018
Python

JensKrumsieck / porphystruct-scripts

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

python chemistry crystallography nsd conformation conformational-analysis macrocycles-conformational-search coordination-chemistry macrocycles porphystruct

Updated Mar 14, 2024
Jupyter Notebook

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