relax SVN archive

Added the bond length values for RDC usage.

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

Corrected a out-of-date dosctring.

This was discussed in a thread at:
https://mail.gna.org/public/relax-devel/2009-02/msg00003.html
(Message-id: <498C75A0.4000408@...>)

Modified the dependency check so both relaxation curve fitting and dispersion are checked.

The name of the functions were also changed to more generic.

This follows a post at:
https://mail.gna.org/public/relax-devel/2009-02/msg00012.html
(Message-id: <7f080ed10902171018o422b7dcdjed5f6abcd94df091@...>)

Made a small correction affecting the print out.

This was nicely catched by Ed in a post at:
https://mail.gna.org/public/relax-devel/2009-02/msg00013.html
(Message-id: <7f080ed10902171019y23e3082dx7b2c747c283001e0@...>)

Added dependency check for relaxation dispersion C modules.

This follows r8817.

Grouped together the compilation of C modules for both relaxation curve fitting and dispersion.

This is as proposed in posts at:
https://mail.gna.org/public/relax-devel/2009-02/msg00007.html
(Message-id: <7f080ed10902170918l1dd302b5q744ec9ecdc570e1b@...>)
and
https://mail.gna.org/public/relax-devel/2009-02/msg00008.html
(Message-id: <7f080ed10902170921w635fe002m3ef0816d7e4f9d79@...>

Reverted r8706.

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 -r8706:8705 .

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@...>)