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Update index.md
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albinoknyaz authored Feb 26, 2024
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- do analysis in Python using MDanalysis and Prody libraries
- select, extract and analyze atom coordinates and dihedral angles.
- add hydrogens to the structure

### Part 2.
- identify protonation states
- assign charges to the atoms
- identify hydrogen bonds
- compute and analyze electrostatic surface
- build contact maps
- identify domains
- find homologous structures
- make structural alignment, compute RMSD
- generate sequence alignment from structural alignment
- identify residue conservation
- analyze dynamics using elastic networks models
- identify protonation states
- assign charges to the atoms
- identify hydrogen bonds
- compute and analyze electrostatic surface
- build contact maps
- identify domains
- find homologous structures
- make structural alignment, compute RMSD
- generate sequence alignment from structural alignment
- identify residue conservation
- analyze dynamics using elastic networks models

## Jupyter notebook
- [3Dstruct_analysis.ipynb](3Dstruct_analysis.ipynb)
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