relax / SVN archive Commit Log

Commit	Date
[r26168] by tlinnet Removed then function loop_cluster_ids() from dispersion API(). This should be implemented elsewhere. Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues.	2014-10-06 15:07:54	Tree
[r26167] by tlinnet In the dispersion API calculate(), used the API function model_loop() to loop over the clusters instead. Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues.	2014-10-06 15:07:49	Tree
[r26166] by bugman Added a BMRB NMR-STAR formatted deposition file for the OMP model-free data for reference. This is because there are no other NMR-STAR formatted files in the relax sources.	2014-10-06 14:37:17	Tree
[r26165] by bugman Fix for the pipe_control.exp_info.bmrb_write_software() function. This was broken back at r26071 (http://article.gmane.org/gmane.science.nmr.relax.scm/23822). The variable name change of software.name to software.software_name was not applied to the pipe_control.exp_info module. This caused a few of the Bmrb system tests to fail.	2014-10-06 14:35:18	Tree
[r26164] by bugman Fix for bug #22563 (https://gna.org/bugs/?22563). This is the NS MMQ 2-site dispersion model running at 32-bit precision and not 64-bit as it should be. The numpy.complex64 32-bit types have been replaced by numpy.complex128 in the lib.dispersion.ns_mmq_2site module.	2014-10-06 12:38:25	Tree
[r26163] by tlinnet Inserted some testing lines for making a dx_map, either global clustered or as a free spin. There is a big difference which dx map you get. It illustrates beautiful, the effect of clustering things together. Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues.	2014-10-06 03:50:02	Tree
[r26162] by tlinnet Moved teh skipping of protons away from looping function. Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues.	2014-10-06 03:19:15	Tree
[r26161] by tlinnet Made the value set function, set values to all spins, if it is a global parameter. Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues.	2014-10-06 03:19:13	Tree
[r26160] by tlinnet Added the selection string for all the cluster ids to be parsed back as well. Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues.	2014-10-06 03:19:11	Tree
[r26159] by tlinnet Moved the looping over cluster spin ids into its own function in the API. Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues.	2014-10-06 03:19:08	Tree

[r26168] by tlinnet

Removed then function loop_cluster_ids() from dispersion API().

This should be implemented elsewhere.

Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues.

2014-10-06 15:07:54

Tree

[r26167] by tlinnet

In the dispersion API calculate(), used the API function model_loop() to loop over the clusters instead.

Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues.

2014-10-06 15:07:49

Tree

[r26166] by bugman

Added a BMRB NMR-STAR formatted deposition file for the OMP model-free data for reference.

This is because there are no other NMR-STAR formatted files in the relax sources.

2014-10-06 14:37:17

Tree

[r26165] by bugman

Fix for the pipe_control.exp_info.bmrb_write_software() function.

This was broken back at r26071 (http://article.gmane.org/gmane.science.nmr.relax.scm/23822). The
variable name change of software.name to software.software_name was not applied to the
pipe_control.exp_info module. This caused a few of the Bmrb system tests to fail.

2014-10-06 14:35:18

Tree

[r26164] by bugman

Fix for bug #22563 (https://gna.org/bugs/?22563).

This is the NS MMQ 2-site dispersion model running at 32-bit precision and not 64-bit as it should
be. The numpy.complex64 32-bit types have been replaced by numpy.complex128 in the
lib.dispersion.ns_mmq_2site module.

2014-10-06 12:38:25

Tree

[r26163] by tlinnet

Inserted some testing lines for making a dx_map, either global clustered or as a free spin.

There is a big difference which dx map you get.

It illustrates beautiful, the effect of clustering things together.

Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues.

2014-10-06 03:50:02

Tree

[r26162] by tlinnet

Moved teh skipping of protons away from looping function.

Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues.

2014-10-06 03:19:15

Tree

[r26161] by tlinnet

Made the value set function, set values to all spins, if it is a global parameter.

Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues.

2014-10-06 03:19:13

Tree

[r26160] by tlinnet

Added the selection string for all the cluster ids to be parsed back as well.

Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues.

2014-10-06 03:19:11

Tree

[r26159] by tlinnet

Moved the looping over cluster spin ids into its own function in the API.

Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues.

2014-10-06 03:19:08

Tree

relax SVN archive

Molecular dynamics by NMR data analysis

SVN archive Commit Log