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SVN archive Commit Log


Commit Date  
[r2360] by bugman

Added the shell of an Scons script.

2006-01-25 05:10:11 Tree
[r2359] by bugman

Changed the one line program description.

2006-01-25 01:50:06 Tree
[r2358] by bugman

A number of changes to the code for Art Palmer's Modelfree4 program.

The 'palmer.create()' and 'palmer.execute()' now have the keyword argument 'binary'. If the default
of 'modelfree4' is changed to another name, then the binary file executed will be different. This
is useful for running a different version or a binary which is not in the environment's path.

The precision of the data in the 'mfdata' file has been significantly improved.

The function 'palmer.extract()' has been rewritten to be much more efficient. Rather than walking
through the 'mfout' file line by line for each parameter for each residue, only one parse of the
file is done to work out the position of each section. Then the section position plus the residue
position is added to extract the relevant data.

2006-01-25 00:48:39 Tree
[r2357] by bugman

Updated the release checklist instructions for creating the HTML manual.

2006-01-20 02:22:30 Tree
[r2356] by bugman

Updated the manual and version number to 1.2.1.

2006-01-20 01:47:00 Tree
[r2355] by bugman

relax version 1.2.1.

This release fixes a number of bugs affecting the creation of Dasha scripts for specific model-free
models (two time scale motions but without the tf parameter), and the reading back in of Dasha
results for models with motions on two time scales. The function 'value.write()' which was broken
when trying to write out relaxation data (R1, R2, or the NOE) has been fixed as well.

2006-01-20 01:31:52 Tree
[r2354] by bugman

A number of bug fixes affecting back calculation of relaxation data and certain Dasha scripts.

The writing of relaxation data to file using the user function 'value.write()' has been fixed.

The Dasha script has been fixed for model-free models on two time scales with no tf parameter. The
line 'fix tf 0' has been shifted to just before the minimise command.

The low precision proton gyromagnetic ratio and Plank's constant have been labelled as such.

2006-01-20 01:23:39 Tree
[r2353] by bugman

Bug fix.

Fixed the reloading of the Dasha results whereby S2 was being overwritten by S2f*S2s.

Also changed the default number of axis increments to 5 in the OpenDX mapping function.

2006-01-19 08:39:22 Tree
[r2352] by bugman

Modifications to handle mapping the model-free space with the parameters S2f and S2s.

The remap script has been fixed (it was severely out of date).

The 'set_update()' function has been added to update S2 when either S2f or S2s are changed (and
neither S2f or S2s are None). A dummy 'set_update()' function now exists in the base class to avoid
problems.

2006-01-18 06:33:30 Tree
[r2351] by macraild

Private unstable branch for Chris MacRaild.

2006-01-17 10:30:20 Tree
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