PTM sidechain analysis & packing

Supports sidechain torsion extraction, visualization and kernel regression for phosphoralytion, acetylation & methylation. The generated libraries are now part of MCSCE (https://github.com/THGLab/MCSCE).

Environment requirements

• numpy
• pandas
• scipy
• biopython
• matplotlib (for visualization)

To create a dedicated conda environment:

conda create -n ptm python=3.9
conda activate ptm
conda install ipykernel
conda install numpy pandas matplotlib
pip install scipy==1.9.3 biopython==1.79

Running jupyter notebooks:

python -m ipykernel install --user --name ptm

Reference