[Biopython] Using DSSP to calculate SASA

João Rodrigues j.p.g.l.m.rodrigues at gmail.com
Mon Apr 24 22:36:29 UTC 2017


I don't know what you are doing with Pymol so I cannot compare.

To access from the DSSP data you have two options. First, access it
directly using the dictionary-like structure it returns, which is what you
are trying to do. The simpler way is to access the xtra method of each
residue in your structure. See this example:
https://gist.github.com/JoaoRodrigues/fd66a4ded49974b19730758a6f8f8e51

The EXP_DSSP_RASA is the R(elative)ASA, which is the absolute value from
DSSP normalized by the scales you can find in the Python file. We should
work on the documentation indeed if it is so confusing.

Freesasa is not in Biopython but it does have a Python API.
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