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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