Welcome to the relax Wiki.
The community-run support site for relax, a program for the study of molecular dynamics using experimental NMR data.
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User contributions - How to edit pages at the wiki
Please read the guidelines here.
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Sample data to try dx
<source lang="bash">
cd $HOME/Desktop
mkdir test_dx
cd test_dx
- See sample scripts
ls -la $HOME/software/relax/sample_scripts/model_free
cp $HOME/software/relax/sample_scripts/model_free/map.py .
- Get data
ls -la $HOME/software/relax/test_suite/shared_data/model_free/sphere
cp $HOME/software/relax/test_suite/shared_data/model_free/sphere/*.out .
cp $HOME/software/relax/test_suite/shared_data/model_free/sphere/*.pdb .
- Modify map script
cp map.py map_mod.py
sed -i.bak "s/res_num_col=1)/mol_name_col=1, res_num_col=2, res_name_col=3, spin_num_col=4, spin_name_col=5)/g" map_mod.py
sed -i.bak "s/600/900/g" map_mod.py
sed -i.bak "s/spin\.name/#spin\.name/g" map_mod.py
sed -i.bak "s/res_num_col=1, data_col=3, error_col=4)/mol_name_col=1, res_num_col=2, res_name_col=3, spin_num_col=4, spin_name_col=5, ..→
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Random screenshots
The analysis selection wizard
Steady-state NOE analysis
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