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obtaing pdb files

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obtaing pdb files


I have read about a python script used in Meiler lab does which clean and fix obvious errors in pdb. However I have been unable to locate in the rosseta 3.2 package. is this script public available.

Knut J

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Fri, 2011-02-25 11:05

Hi Knut,

The Meiler lab uses a cleaning script that was created by:

1. Phil Bradley
2. Rhiju Das
3. Michael Tyka
4. TJ Brunette
5. James Thompson

The script was modified to work with the Meiler lab configuration. James Thompson has included the cleaning script in the Rosetta 3.2 release. You can find the script in your rosetta_source directory: rosetta-3.2/rosetta_source/src/python/apps/public/

In general, you run it by: python

Fri, 2011-02-25 12:48

Thank. I have also made a modification which is very simple. I have adde my modification below. I think it simple to give a clear error message rather than just fail. How can I provide a patch?

pdbname = argv[1]
pdbcode = argv[1]
chainid = argv[2]
print "please provide the name of the pdb file, the pdb code and chain id"
print ""
assert( len(argv)>2)

Sat, 2011-02-26 00:59

Hi Knut,

I will make those changes to the script. Soon, the version that the meiler lab uses will be available online.

Steven C.

Tue, 2011-03-01 08:05