Commit | Date | |
---|---|---|
[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 |
2010-02-25 04:47:54 | Tree | |
2010-02-25 04:47:04 | Tree | |
2010-02-25 04:46:15 | Tree | |
2010-02-25 04:45:04 | Tree | |
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 |
[r10922]
by
michaelbieri
Proper openfile dialog was included to the function to open a global pdb file. |
2010-02-25 04:33:27 | Tree |