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SVN archive Commit Log


Commit Date  
[r10932] by michaelbieri

Python modules time and os.sep are loaded into the script.

2010-02-25 04:55:25 Tree
[r10931] by michaelbieri

Output file are better labled.

E.g. a R2 output file at 600 MHz will be 'r2_600.out'. In addition. grace will not open automatically after the calculation.

2010-02-25 04:52:51 Tree
[r10930] by michaelbieri

No spins are deselected if no spins / residues are indicated.

A fix has to be done if spins /residues are deselcted. Best will be to create a file listing these residues / spins.

2010-02-25 04:50:48 Tree
[r10929] by michaelbieri

Replicated spectra are set correctly.

2010-02-25 04:47:54 Tree
[r10928] by michaelbieri

Relaxation times are converted into float objects (from strings).

2010-02-25 04:47:04 Tree
[r10927] by michaelbieri

Proton and hetero nucleus type is specified in read intensity function.

2010-02-25 04:46:15 Tree
[r10926] by michaelbieri

The sequence is loaded from a pdb file, if provided.

2010-02-25 04:45:04 Tree
[r10925] by michaelbieri

New arguments are accessible for all functions.

2010-02-25 04:43:42 Tree
[r10924] by michaelbieri

The class Relax_fit reads in the type of calculation (R1 or R2), the frequency, results directory, pdb file and unresolved residues.

2010-02-25 04:42:42 Tree
[r10923] by michaelbieri

Current date was added to pipe name to allow multiple rx calculations during the same session.

2010-02-25 04:39:28 Tree
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