Author: semor
Date: Tue Mar 24 18:24:24 2009
New Revision: 8991
URL: http://svn.gna.org/viewcvs/relax?rev=8991&view=rev
Log:
Merged revisions 8979-8990 via svnmerge from
svn+ssh://semor@xxxxxxxxxxx/svn/relax/1.3
........
r8979 | semor | 2009-03-16 14:52:15 -0400 (Mon, 16 Mar 2009) | 9 lines
Fix for bug 13032: Bug in structure.create diff tensor pdb
The Dz unit in dependency_generator() were erroneous, inputing 'alpha' and
'beta' instead of 'beta' and 'gamma'.
This had the effect of creating a weird shaped ellipsoid diffusion tensor
representation when 'alpha' and 'beta' were set to unequal values.
This is now fixed, yielding properly shaped diffusion tensor
representations for any angles 'alpha', beta' and 'gamma'.
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r8980 | semor | 2009-03-16 14:59:34 -0400 (Mon, 16 Mar 2009) | 11 lines
Changed units of model-free parameters in the test suite results file
according to r8977.
ns -> seconds
ps -> seconds
Angstrom -> meters
x MHz -> sigma_ex = Rex / omega**2
ppm -> unitless
The bzipped file was changed directly with vim. The system tests now pass
without error,
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r8981 | bugman | 2009-03-18 10:48:09 -0400 (Wed, 18 Mar 2009) | 5 lines
Bug fix!
Debugged intensity_sparky() to handle a Sparky assignment such as '004N-H'.
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r8982 | bugman | 2009-03-20 04:49:03 -0400 (Fri, 20 Mar 2009) | 5 lines
Added the Bruker ncproc parameter to handle Topspin's integer scaling of
FID intensities.
The data is now internally scaled by 2**ncproc.
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r8983 | bugman | 2009-03-20 06:28:13 -0400 (Fri, 20 Mar 2009) | 3 lines
RMSD of baseplane noise is now scaled by NC_proc.
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r8984 | bugman | 2009-03-20 10:22:14 -0400 (Fri, 20 Mar 2009) | 3 lines
Fixed a bad apostrophe character causing the script to fail.
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r8985 | bugman | 2009-03-20 10:28:37 -0400 (Fri, 20 Mar 2009) | 3 lines
Comment fix - missing data and error column args.
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r8986 | bugman | 2009-03-20 10:39:45 -0400 (Fri, 20 Mar 2009) | 3 lines
Removed a check disallowing multiple NOE data sets at the same spectrometer
frequency.
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r8987 | bugman | 2009-03-20 11:55:06 -0400 (Fri, 20 Mar 2009) | 5 lines
Bug fix for the results reading from_xml() method.
The molecule name was being evaluated?!?
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r8988 | bugman | 2009-03-20 12:35:00 -0400 (Fri, 20 Mar 2009) | 3 lines
Allowed vectors() to generate vectors even if the spin numbers are
different (for different PDBs).
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r8989 | bugman | 2009-03-20 12:35:55 -0400 (Fri, 20 Mar 2009) | 3 lines
Also removed the molecule name (for different PDBs).
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r8990 | bugman | 2009-03-20 12:44:37 -0400 (Fri, 20 Mar 2009) | 5 lines
Made the call to cdp.structure.bond_vectors() more fault tolerant.
The molecule name, residue name, and spin number are removed to allow for
different structures!
........
Modified:
branches/relax_disp/ (props changed)
branches/relax_disp/data/diff_tensor.py
branches/relax_disp/data/mol_res_spin.py
branches/relax_disp/generic_fns/relax_data.py
branches/relax_disp/generic_fns/spectrum.py
branches/relax_disp/generic_fns/structure/main.py
branches/relax_disp/prompt/spectrum.py
branches/relax_disp/sample_scripts/full_analysis.py
branches/relax_disp/test_suite/shared_data/model_free/OMP/final_results_trunc_1.3.bz2
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: branches/relax_disp/data/diff_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/data/diff_tensor.py?rev=8991&r1=8990&r2=8991&view=diff
Modified: branches/relax_disp/data/mol_res_spin.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/data/mol_res_spin.py?rev=8991&r1=8990&r2=8991&view=diff
Modified: branches/relax_disp/generic_fns/relax_data.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/generic_fns/relax_data.py?rev=8991&r1=8990&r2=8991&view=diff
Modified: branches/relax_disp/generic_fns/spectrum.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/generic_fns/spectrum.py?rev=8991&r1=8990&r2=8991&view=diff
Modified: branches/relax_disp/generic_fns/structure/main.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/generic_fns/structure/main.py?rev=8991&r1=8990&r2=8991&view=diff
Modified: branches/relax_disp/prompt/spectrum.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/prompt/spectrum.py?rev=8991&r1=8990&r2=8991&view=diff
Modified: branches/relax_disp/sample_scripts/full_analysis.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/sample_scripts/full_analysis.py?rev=8991&r1=8990&r2=8991&view=diff
Modified:
branches/relax_disp/test_suite/shared_data/model_free/OMP/final_results_trunc_1.3.bz2
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/model_free/OMP/final_results_trunc_1.3.bz2?rev=8991&r1=8990&r2=8991&view=diff
r8991 - in /branches/relax_disp: ./ data/ generic_fns/ generic_fns/structure/ prompt/ sample_scripts/ test_suite/shared_data...