diff --git a/workshops/3Dstruct_analysis/index.md b/workshops/3Dstruct_analysis/index.md index 6bd08a9..e3e64eb 100644 --- a/workshops/3Dstruct_analysis/index.md +++ b/workshops/3Dstruct_analysis/index.md @@ -9,19 +9,19 @@ - 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)