I try to find dataset where PDB protein with Atoms and coordinates is constructed as a network (will work adjacency matrix or contact map).

Managed to convert the file manually in a distance matrix but want to know if is already datasets what I can use for research.

location for the PDB bank protein: http://www.rcsb.org/pdb/home/home.do#Category-download

1 Answer 1


With-out being familiar with that DB and data set and my knowledge of that being a bit rusty (i.e. 10 years old) and trying to interpret what you're doing:

I would say you can construct a "formal" network of atoms and their bonds from the protein's sequence. This completely ignores secondary and tertiary structure, where bonds and van der Waals forces play a role.

Assuming that the data you're downloading is X-ray crystallography or some such, mapping the protein into that and deriving bonds and near bonds and such, is AFAIK an open research question. You may have better luck in a computational biology or computational chemistry related forum to get updates on this.

Please let me know, if I misinterpreted anything. I'll then delete this answer.

  • I'm constructing for each individual but was wondering if is already prepared dataset with adj matrix for each proteine ...
    – n1tk
    May 8, 2017 at 19:33

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