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Commit Date  
[r9570] by bugman

Changes to the pcs.read() and rdc.read() user function interfaces.

Columns are now numbered from 1 - note this will break many things! The spin_id_col is now accepted
and the spin_id arg is explained.

The docstrings have also been modified all over these user function classes to replace
'identification string' with 'ID string'.

2009-10-06 09:38:20 Tree
[r9569] by bugman

Removed some empty lines.

2009-10-06 09:25:10 Tree
[r9568] by bugman

Added the spin_id_col arg to the rdc.read() user function.

This allows 2 different formats for spin identification - spin ID string or mol name, res name and
num, and spin name and num.

2009-10-06 09:22:21 Tree
[r9567] by bugman

Renamed the 'grace.py' sample script to 'mf_grace_S2_vs_te.py'.

2009-10-05 10:15:51 Tree
[r9566] by bugman

Added a script for creating Molmol macros to represent the model-free motions.

2009-10-05 09:34:48 Tree
[r9565] by bugman

Fix for the system test of Art Palmer's Modelfree4 program for the new __deselect_spins() fn.

2009-10-05 08:26:24 Tree
[r9564] by bugman

Bug fix: Added the function __deselect_spins() to remove spins with too little data.

This fixes bug #14428 (http://gna.org/bugs/?14428) reported by Pierre-Yves Savard <pierre-yves dott
savard at bcm dot ulaval dot ca>.

The new function is almost identical to that used in the model-free analysis performed by relax in
that spins with no or too little data, or those which would be over-fit are removed from the
analysis.

2009-10-05 08:25:33 Tree
[r9563] by bugman

Modified the grid search calls due to changes in minfx.

2009-09-22 17:35:05 Tree
[r9562] by bugman

Redesigned the model-free grid search setup around the new minfx interface.

2009-09-22 16:18:55 Tree
[r9561] by bugman

Removed some trailing whitespace.

2009-09-22 13:16:24 Tree
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