relax SVN archive

Reverted r8813.

This was proposed by Ed in a post at:
https://mail.gna.org/public/relax-devel/2009-02/msg00007.html
(Message-id: <7f080ed10902170918l1dd302b5q744ec9ecdc570e1b@...>)

The command used was:
svn merge -r8813:8812 .

Merged revisions 8800-8812 via svnmerge from
svn+ssh://semor@.../svn/relax/1.3

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r8800 | bugman | 2009-02-15 06:50:39 -0500 (Sun, 15 Feb 2009) | 5 lines

Debugged the __minimise_bc_data() method.

The calculated Q-factors for the RDC and PCS were completely incorrect!
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r8801 | bugman | 2009-02-15 06:51:13 -0500 (Sun, 15 Feb 2009) | 3 lines

Removed some debugging print outs.
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r8802 | bugman | 2009-02-15 08:44:38 -0500 (Sun, 15 Feb 2009) | 3 lines

Added the Ca atom of GLU 3.
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r8803 | bugman | 2009-02-15 08:45:10 -0500 (Sun, 15 Feb 2009) | 3 lines

Some fixes for the test_read_pdb_internal1() and test_read_pdb_scientific1() system tests.
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r8804 | bugman | 2009-02-15 08:54:29 -0500 (Sun, 15 Feb 2009) | 3 lines

When finding attached atoms, the radius of atoms assumed to be bonded has been increased to 2 Angstrom.
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r8805 | bugman | 2009-02-15 13:05:15 -0500 (Sun, 15 Feb 2009) | 5 lines

Modified how the generic peak intensity file is detected.

The change is that if no other formats are detected, relax falls back to the generic format.
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r8806 | bugman | 2009-02-16 05:34:05 -0500 (Mon, 16 Feb 2009) | 3 lines

The RDC data is now formatted for Pales, to check the synthetic test model and relax.
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r8807 | bugman | 2009-02-16 05:45:40 -0500 (Mon, 16 Feb 2009) | 3 lines

Modified the print out to remove the broken Eigenvalue sum and add the Saupe order matrix.
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r8808 | bugman | 2009-02-16 08:22:13 -0500 (Mon, 16 Feb 2009) | 3 lines

Added a debugging print out.
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r8809 | bugman | 2009-02-17 04:08:28 -0500 (Tue, 17 Feb 2009) | 5 lines

Modified the NH bond length to be 1.041 Angstrom.

This is from Ottiger, M. and Bax A., J. Am. Chem. Soc. (1998), 120, 12334-12341.
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r8810 | bugman | 2009-02-17 04:56:07 -0500 (Tue, 17 Feb 2009) | 5 lines

Modified the NH bond length to be 1.041 Angstrom in the system test script.

This is from Ottiger, M. and Bax A., J. Am. Chem. Soc. (1998), 120, 12334-12341.
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r8811 | bugman | 2009-02-17 05:03:19 -0500 (Tue, 17 Feb 2009) | 3 lines

Added comments saying what the gyromagnetic ratio constants used in Pales are.
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r8812 | bugman | 2009-02-17 05:22:03 -0500 (Tue, 17 Feb 2009) | 3 lines

Added the Pales output file.
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Added the 'c_chi2' code for compilation with the relaxation dispersion C module.

Whether or not this change will be conserved will be discussed in a thread started at:
https://mail.gna.org/public/relax-devel/2009-02/msg00000.html
(Message-id: <4989C496.8030907@...>)

Added the Pales output file.

Added comments saying what the gyromagnetic ratio constants used in Pales are.

Modified the NH bond length to be 1.041 Angstrom in the system test script.

This is from Ottiger, M. and Bax A., J. Am. Chem. Soc. (1998), 120, 12334-12341.

Modified the NH bond length to be 1.041 Angstrom.

This is from Ottiger, M. and Bax A., J. Am. Chem. Soc. (1998), 120, 12334-12341.

Added a debugging print out.

Modified the print out to remove the broken Eigenvalue sum and add the Saupe order matrix.

The RDC data is now formatted for Pales, to check the synthetic test model and relax.