relax SVN archive

Merged revisions 12550-12552,12554-12563,12566 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

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r12550 | bugman | 2011-02-18 11:31:46 +0100 (Fri, 18 Feb 2011) | 3 lines

Initialized merge tracking via "svnmerge" with revisions "1-11635" from
svn+ssh://bugman@.../svn/relax/branches/bruker_import
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r12551 | bugman | 2011-02-18 11:33:18 +0100 (Fri, 18 Feb 2011) | 79 lines

Merged revisions 11636-11637,12535-12547,12549 via svnmerge from
svn+ssh://bugman@.../svn/relax/branches/bruker_import

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r11636 | michaelbieri | 2010-10-11 00:25:46 +0200 (Mon, 11 Oct 2010) | 2 lines

Example outputfiles of BRUKER Protein Dynamic Center (PDC) were added.
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r11637 | michaelbieri | 2010-10-11 03:42:10 +0200 (Mon, 11 Oct 2010) | 4 lines

Function to import BRUKER Protein Dynamic Center project is added.

The import will be converted to a relax formatted parameter file, either as a dummy file or saved at a specified location.
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r12535 | bugman | 2011-02-17 16:14:49 +0100 (Thu, 17 Feb 2011) | 7 lines

Updated the PDC R1 data file to version 1.1.5.

This file was sent by Klaus-Peter Neidig <peter dot neidig att bruker-biospin dot de> in the message
https://mail.gna.org/public/relax-devel/2011-01/msg00043.html (Message-id:
<4D3ED3AC.20107@...>).
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r12536 | bugman | 2011-02-17 16:22:15 +0100 (Thu, 17 Feb 2011) | 3 lines

Created the prompt/script interface to the pdc.read() user function.
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r12537 | bugman | 2011-02-17 16:25:56 +0100 (Thu, 17 Feb 2011) | 3 lines

Create a stub of a back-end for the pdc.read() user function.
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r12538 | bugman | 2011-02-17 16:42:14 +0100 (Thu, 17 Feb 2011) | 3 lines

Added a sequence file for the data in these test PDC files.
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r12539 | bugman | 2011-02-17 16:59:31 +0100 (Thu, 17 Feb 2011) | 3 lines

Added a basic system test for the loading of a PDC file.
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r12540 | bugman | 2011-02-17 17:00:44 +0100 (Thu, 17 Feb 2011) | 3 lines

Added some missing imports.
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r12541 | bugman | 2011-02-17 17:01:25 +0100 (Thu, 17 Feb 2011) | 3 lines

Typo fix for the PDC reading system test.
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r12542 | bugman | 2011-02-17 17:30:24 +0100 (Thu, 17 Feb 2011) | 3 lines

Implemented the reading of relaxation data from the PDC file.
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r12543 | bugman | 2011-02-17 17:31:45 +0100 (Thu, 17 Feb 2011) | 3 lines

The PDC system test has been loosened - the precision is not perfect.
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r12544 | bugman | 2011-02-17 17:34:53 +0100 (Thu, 17 Feb 2011) | 3 lines

Added some checks for the current data pipe relaxation data structures to the PDC reading system test.
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r12545 | bugman | 2011-02-18 10:23:00 +0100 (Fri, 18 Feb 2011) | 3 lines

The temperature from the PDC file is now being read, although it isn't used yet.
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r12546 | bugman | 2011-02-18 10:23:37 +0100 (Fri, 18 Feb 2011) | 3 lines

The 'Labelling' line from the PDC file is now used to set the heteronucleus type and spin name.
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r12547 | bugman | 2011-02-18 10:41:25 +0100 (Fri, 18 Feb 2011) | 5 lines

Implemented the code for reading the peak intensity type.

This is not active yet as it can only be used in the BMRB branch.
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r12549 | bugman | 2011-02-18 11:25:45 +0100 (Fri, 18 Feb 2011) | 5 lines

Fix for the integration method block in the pdc.read() back end.

The commented out code requires at least some code in the block.
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r12552 | bugman | 2011-02-18 11:35:40 +0100 (Fri, 18 Feb 2011) | 3 lines

Removed merge tracking for "svnmerge" for
svn+ssh://bugman@.../svn/relax/branches/bruker_import
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r12554 | bugman | 2011-02-18 12:41:55 +0100 (Fri, 18 Feb 2011) | 3 lines

Added some data files and scripts for checking the consistency of the PDC data verse relax's data.
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r12555 | bugman | 2011-02-18 12:45:09 +0100 (Fri, 18 Feb 2011) | 3 lines

Some cosmetic changes to the PDC data conversion test script.
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r12556 | bugman | 2011-02-18 14:20:06 +0100 (Fri, 18 Feb 2011) | 3 lines

Added a relax script and R1 data file for relax's optimisation and MC sims using the PDC file errors.
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r12557 | bugman | 2011-02-18 14:24:01 +0100 (Fri, 18 Feb 2011) | 3 lines

Created the peak height error file errors_R1.txt from testT1.txt.
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r12558 | bugman | 2011-02-18 14:24:52 +0100 (Fri, 18 Feb 2011) | 3 lines

Added residue name and number info to the print out of the convert_data.py PDC file script.
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r12559 | bugman | 2011-02-18 14:32:10 +0100 (Fri, 18 Feb 2011) | 3 lines

Added a script for converting the PDC NOE data into Python lists.
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r12560 | bugman | 2011-02-18 14:37:50 +0100 (Fri, 18 Feb 2011) | 3 lines

Added a system test for the reading of a PDC NOE file.
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r12561 | bugman | 2011-02-18 14:49:43 +0100 (Fri, 18 Feb 2011) | 3 lines

Fix for the NOE PDC data conversion script.
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r12562 | bugman | 2011-02-18 14:50:37 +0100 (Fri, 18 Feb 2011) | 5 lines

Fix for the test_pdc_read_noe() PDC file reading system test.

The NOE values were actually the errors.
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r12563 | bugman | 2011-02-18 14:51:49 +0100 (Fri, 18 Feb 2011) | 3 lines

Some fixes for the pdc.read() back end so that PDC NOE data files can be read properly.
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r12566 | bugman | 2011-02-18 15:19:21 +0100 (Fri, 18 Feb 2011) | 13 lines

Merged the changes to the CHANGES file from the 1.3.10 tag.

The command used was:
svn merge -r12564:12565 svn+ssh://bugman@.../svn/relax/tags/1.3.10

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r12565 | bugman | 2011-02-18 15:18:06 +0100 (Fri, 18 Feb 2011) | 3 lines
Changed paths:
M /tags/1.3.10/docs/CHANGES

Updated the CHANGES file for relax version 1.3.10 (see http://www.nmr-relax.com/download.html).
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Updated the API documentation for relax 1.3.10 (http://www.nmr-relax.com/api/1.3/).

Updated the HTML version of the relax user manual to version 1.3.10.

This will be viewable at http://www.nmr-relax.com/manual/1.3/relax.html.

Updated the download page http://www.nmr-relax.com/download.html for relax version 1.3.10.

Added the relax 1.3.10 user manual to the repository.

It will later be available from http://www.nmr-relax.com/docs.html.

Updated the version number to 1.3.10.

See http://www.nmr-relax.com/download.html for the release.

Merged the changes to the CHANGES file from the 1.3.10 tag.

The command used was:
svn merge -r12564:12565 svn+ssh://bugman@.../svn/relax/tags/1.3.10

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r12565 | bugman | 2011-02-18 15:18:06 +0100 (Fri, 18 Feb 2011) | 3 lines
Changed paths:
M /tags/1.3.10/docs/CHANGES

Updated the CHANGES file for relax version 1.3.10 (see http://www.nmr-relax.com/download.html).
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Updated the CHANGES file for relax version 1.3.10 (see http://www.nmr-relax.com/download.html).

relax version 1.3.10.

This release includes the major feature of supporting the Bruker Protein Dynamics Centre (PDC) data
files.

Some fixes for the pdc.read() back end so that PDC NOE data files can be read properly.