Creating residue graph from PDB #369
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shrimonmuke0202
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Have you consulted the documentation? There are some examples here: https://github.com/a-r-j/graphein/blob/master/notebooks/residue_graphs.ipynb |
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Actually, I am looking for Perpendicular pi-stacking and Parallel pi-stacking to construct the edge in the graph but I did not find any kind of function in the documentation. |
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I want to generate protein residue graph from the PDB file which will eventually contain all of this properties in the residue graph
Bond type Threshold
Covalent —
Hydrophobic contacts 4
Hydrogen bond 3.5
Salt bridge 4
Cation–pi interaction 5
Perpendicular pi-stacking 5
Parallel pi-stacking 5
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