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Tutorial for model free SBiNLab

Revision as of 15:37, 13 October 2017 by Tlinnet (talk | contribs) (→‎Scripts)

Background

This is a tutorial for Lau and Kaare in SBiNLab, and hopefully others.

To get inspiration of example scripts files and see how the protocol is performed, have a look here:

  • nmr-relax-code/test_suite/system_tests/scripts/model_free/dauvergne_protocol.py
  • nmr-relax-code/auto_analyses/dauvergne_protocol.py

Scripts

To get the protocol to work, we need to

  • Load a PDB structure
  • Assign the "data structure" in relax through spin-assignments
  • Assign necessary "information" as isotope information to each spin-assignment
  • Read "R1, R2 and NOE" for different magnet field strengths
  • Calculate some properties
  • Check the data
  • Run the protocol

To work most efficiently, it is important to perform each step 1 by 1, and closely inspect the log for any errors.

For similar tutorial, have a look at [Tutorial_for_model-free_analysis_sam_mahdi Tutorial for model-free analysis sam mahdi]


01 - Test load of data

See also