relax SVN archive

svn+ssh://bugman@.../svn/relax/1.3

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r13845 | bugman | 2011-07-25 10:07:31 +0200 (Mon, 25 Jul 2011) | 5 lines

Added some old 2004 scripts for creating a uniform vector distribution and calculating relaxation data.

This will be used in the end to build a quick test for the dauvergne_protocol auto-analysis.
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r13846 | bugman | 2011-07-25 10:13:27 +0200 (Mon, 25 Jul 2011) | 3 lines

Modified the spherical vector distribution script in preparation for Python 3.
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r13847 | bugman | 2011-07-25 10:15:19 +0200 (Mon, 25 Jul 2011) | 3 lines

Modified the script to only have 3 incs.
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r13848 | bugman | 2011-07-25 10:15:51 +0200 (Mon, 25 Jul 2011) | 3 lines

Created the PDB representation of the spherical vector distribution for 9 vectors.
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r13849 | bugman | 2011-07-25 10:37:49 +0200 (Mon, 25 Jul 2011) | 3 lines

Converted the relaxation data generation script from relax 1.0 format to relax 1.3.
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r13850 | bugman | 2011-07-25 12:02:17 +0200 (Mon, 25 Jul 2011) | 9 lines

Added initial support for determining protein connectivities in the internal structural reader.

This is currently only for intra-residue connectivities in the protein backbone. A number of new
methods have been added:
_mol_type()
_protein_connect()
_protein_intra_connect()
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r13851 | bugman | 2011-07-25 12:20:43 +0200 (Mon, 25 Jul 2011) | 5 lines

Fixes for the test suite relaxation data creation script.

The code was not fully compatible with the relax 1.3 design.
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r13852 | bugman | 2011-07-25 12:21:13 +0200 (Mon, 25 Jul 2011) | 3 lines

Fixes to the relaxation data generation sample script based on the changes of r13851.
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r13853 | bugman | 2011-07-25 12:22:22 +0200 (Mon, 25 Jul 2011) | 5 lines

The relaxation data is now for 500 and 900 MHz.

This larger difference should hopefully speed up optimisation in the test suite.
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r13854 | bugman | 2011-07-25 12:23:36 +0200 (Mon, 25 Jul 2011) | 3 lines

Added the relaxation data.
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r13855 | bugman | 2011-07-25 13:45:04 +0200 (Mon, 25 Jul 2011) | 5 lines

Added the argument 'bc' to the relax_data.write() user function front end.

This currently doesn't do anything.
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r13856 | bugman | 2011-07-25 14:33:28 +0200 (Mon, 25 Jul 2011) | 5 lines

The 'bc' arg is now part of the value.write() user function, and all of the return_value functions.

The arg is also propagated to the back-end of the relax_data.write() user function.
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r13857 | bugman | 2011-07-25 14:34:12 +0200 (Mon, 25 Jul 2011) | 3 lines

The back calculated data is now written out to file in the synthetic relaxation data script.
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