relax SVN archive

Structure file is set as None if sequence file was loaded.

Dummy file for unresolved residues is created for noe calculation.

Global settings are imported from relaxGUI and used for noe calculation.

Global settings set up in relaxGUI is included in relax fit calculation.

Users are able to specify hetero nucleus and proton name.

Text of relaxGUI kill button is changed to Kill and Exit, as suggested by Edward d'Auvergne (https://mail.gna.org/public/relax-devel/2010-04/msg00032.html).

Merged revisions 11087-11099 via svnmerge from
svn+ssh://michaelbieri@.../svn/relax/1.3

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r11087 | bugman | 2010-04-20 19:44:35 +1000 (Die, 20 Apr 2010) | 5 lines

Added some calls to value.display() and value.write().

This demonstrates the failure of these user functions!
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r11088 | bugman | 2010-04-20 19:46:14 +1000 (Die, 20 Apr 2010) | 5 lines

Fix for 3 of the 'value' user functions.

These were calling the non-existent self.__relax__.
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r11089 | bugman | 2010-04-20 19:47:52 +1000 (Die, 20 Apr 2010) | 5 lines

Fix for the molmol.clear_history() user function.

This was calling the non-existent self.__relax__ structure.
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r11090 | bugman | 2010-04-20 21:49:47 +1000 (Die, 20 Apr 2010) | 3 lines

Wrote the back end for the rdc.display() and rdc.write() user functions.
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r11091 | bugman | 2010-04-20 22:42:53 +1000 (Die, 20 Apr 2010) | 3 lines

Wrote the back end for the pcs.display() and pcs.write() user functions.
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r11092 | bugman | 2010-04-21 19:00:41 +1000 (Mit, 21 Apr 2010) | 3 lines

Added 2 system tests for alignment tensor optimisation using DNA PCS data.
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r11093 | bugman | 2010-04-21 20:22:09 +1000 (Mit, 21 Apr 2010) | 5 lines

Clean up of the RDC and PCS modules.

All the residual code from the relax_data module has been eliminated.
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r11094 | bugman | 2010-04-21 22:22:15 +1000 (Mit, 21 Apr 2010) | 5 lines

Added a call to pcs.display() in the DNA PCS system test.

This is to test out the operation of this user function.
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r11095 | bugman | 2010-04-21 23:37:04 +1000 (Mit, 21 Apr 2010) | 3 lines

Fix for the RDC and PCS display() and write() user functions for when no errors exist.
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r11096 | bugman | 2010-04-21 23:38:59 +1000 (Mit, 21 Apr 2010) | 5 lines

Docstring fix for the read() function.

This is the PCS, not RDC.
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r11097 | bugman | 2010-04-21 23:39:50 +1000 (Mit, 21 Apr 2010) | 3 lines

Removal of a few unused imports.
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r11098 | bugman | 2010-04-22 01:52:06 +1000 (Don, 22 Apr 2010) | 5 lines

Added calls to rdc.display() and pcs.display() to the lactose N-state model system test.

This adds more checks for these user functions.
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r11099 | bugman | 2010-04-22 03:14:32 +1000 (Don, 22 Apr 2010) | 5 lines

Converted the spin RDC and PCS data structures to dictionaries using align_id as a key.

This is a big structural update which solves many problems with incomplete data.
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Converted the spin RDC and PCS data structures to dictionaries using align_id as a key.

This is a big structural update which solves many problems with incomplete data.

Added calls to rdc.display() and pcs.display() to the lactose N-state model system test.

This adds more checks for these user functions.

Removal of a few unused imports.

Docstring fix for the read() function.

This is the PCS, not RDC.