9 replies to this topic

[mmt]

I am looking for a script that returns the name of a structure whose PDB ID is given. For example, when the input is "1afo", the output will be "DIMERIC TRANSMEMBRANE DOMAIN OF HUMAN GLYCOPHORIN A, NMR, 20 STRUCTURES"

Does anybody have a script that does it or could someone point me to in the right direction for writing it in Python?

Edit: PDB=Protein Data Bank (www.pdb.org)

Edited by mmt, 02 December 2009 - 09:22 PM.

[HomeBrew]

What database are you retrieving the info from?  I could write it in Perl, but I don't know Python...

[mmt]

HomeBrew, on Dec 2 2009, 08:19 PM, said:

What database are you retrieving the info from?  I could write it in Perl, but I don't know Python...

From PDB. (Protein Data Bank - www.pdb.org). I wanted to integrate the code it into another Python program that I'm writing, but I guess a separate perl script would work too.

[HomeBrew]

Do you want to the program to prompt for the PDB ID input, or read it from a file?

[mmt]

HomeBrew, on Dec 3 2009, 12:19 AM, said:

Do you want to the program to prompt for the PDB ID input, or read it from a file?

Ideally what I wanted to do was give it a list of PDB IDs in a text file, and get the output in a text file again. For example:

when input.txt looks like:

3emg
2v4w
2e1q
...

output.txt:

<Name of structure 1>
<Name of structure 2>
<Name of structure 3>


Thanks for your attention.

[DELETEMYACCOUNTPLEASE]

This will get a PDB file.

import urllib
def get_pdb(id):
  url = 'http://www.rcsb.org/pdb/files/%s.pdb' % id
  return urllib.urlopen(url).readlines()

myid = "3chy"

for line in get_pdb(myid):
    print line.strip()

[mmt]

perlmunky, on Dec 8 2009, 06:43 AM, said:

This will get a PDB file.

import urllib
def get_pdb(id):
  url = 'http://www.rcsb.org/pdb/files/%s.pdb' % id
  return urllib.urlopen(url).readlines()

myid = "3chy"

for line in get_pdb(myid):
    print line.strip()

Thanks perlmunky. Again:)

[DELETEMYACCOUNTPLEASE]

The PDB offers RESTful and SOAP services, I only recently found out about them (damn it).  See here for details on the RESTful approach http://www.pdb.org/p...oftware/rest.do

[HomeBrew]

I'm sorry, mmt -- this somehow slipped off my to-do list.  Are you all set?

Thanks for jumping in, perlmunky...

[DELETEMYACCOUNTPLEASE]

HomeBrew, on Dec 10 2009, 05:49 AM, said:

I'm sorry, mmt -- this somehow slipped off my to-do list.  Are you all set?

Thanks for jumping in, perlmunky...

No problem, think I will have to change the username to pythonmunky ... or not.  The solution I provided won't really help with getting the functional information - that's where the RESTful interface comes in and perhaps some more wonderful code (yippee).