How to extract calculated RSA values from dssp and its corresponding residue?
0
2
Entering edit mode
3.4 years ago
tpm ▴ 30

Hello. I ran this code below

  from Bio.PDB import *
    parser = PDBParser()
    io = PDBIO()
    structure = parser.get_structure('3F9R', '3F9R.pdb')
    model = structure[0]
    dssp = DSSP(model, '3F9R.pdb')
    residues = list(dssp)
    residues

How do I select columns for calculated RSA and residue from this dictionary?

If I want to see the contents in this for residues, I have an output file that looks in short like this.

[(1,
  'G',
  '-',
  0.7857142857142857,
  360.0,
  -167.6,
  0,
  0.0,
  2,
  -0.1,
  0,
  0.0,
  444,
  -0.1),
 (2,
  'M',
  '-',
  0.14893617021276595,
  -67.2,
  140.1,
  1,
  -0.1,
  36,
  -0.2,
  2,
  -0.0,
  35,
  -0.1),
 (3,
  'K',
  '-',
  0.23902439024390243,
  -78.0,
  -14.6,
  34,
  -2.9,
  35,
  -0.1,
  2,
  -0.2,
  197,
  -0.1),
pdb dssp RSA biopython commandline • 1.7k views
ADD COMMENT
0
Entering edit mode
ADD REPLY
0
Entering edit mode

To be honest Fatima, I did check, I genuinely think that I don't know how I can extract RSA and its corresponding residue. The actual code is what I am kindly asking in case someone may have passed through this phase. Maybe its because I am not a good programmer, and it can be quite confusing especially when I can`t bring it to perspective.

ADD REPLY
1
Entering edit mode

Maybe you can try a simpler database, for example:

https://swift.cmbi.umcn.nl/gv/dssp/DSSP_3.html

If you prefer to use biopython, then try this to get the relative ASA:

dssp = DSSP(model, '3F9R.pdb', dssp='mkdssp')
a_key = list(dssp.keys())[3]
dssp[a_key]

You may need to read more about python dictionaries. Also, I think it's a good idea to take a look at similar questions here. You can see a list of these questions on the right panel.

ADD REPLY
0
Entering edit mode

Thank you, so this code computes relative ASA directly. I will read the link you provided through.

ADD REPLY

Login before adding your answer.

Traffic: 2527 users visited in the last hour
Help About
FAQ
Access RSS
API
Stats

Use of this site constitutes acceptance of our User Agreement and Privacy Policy.

Powered by the version 2.3.6