Author: bugman
Date: Mon Feb 19 09:17:37 2007
New Revision: 3024
URL: http://svn.gna.org/viewcvs/relax?rev=3024&view=rev
Log:
Updated the changes file for relax version 1.3.0.
Modified:
tags/1.3.0/docs/CHANGES
Modified: tags/1.3.0/docs/CHANGES
URL:
http://svn.gna.org/viewcvs/relax/tags/1.3.0/docs/CHANGES?rev=3024&r1=3023&r2=3024&view=diff
==============================================================================
--- tags/1.3.0/docs/CHANGES (original)
+++ tags/1.3.0/docs/CHANGES Mon Feb 19 09:17:37 2007
@@ -1,3 +1,40 @@
+Version 1.3.0
+(19 February 2007, from /1.3)
+http://svn.gna.org/svn/relax/tags/1.3.0
+
+ Features:
+ * Implementation of the PDB geometric representation of the Brownian
rotational diffusion tensor using 'structure.create_diff_tensor_pdb()'.
+ * Added a sample script for the creation of the PDB representation
of the diffusion tensor.
+ * Addition of the ability to calculate the centre of mass of the
selected residues (not available as a user function).
+ * The addition of PDB writing capabilities (not available as a user
function).
+ * Creation of the 'molmol.command()' user function to send Molmol
commands to a running instance of Molmol.
+ * Creation of the 'molmol.ribbon()' user function to apply the
Molmol ribbon style (which is equivalent to clicking on 'ribbon' in the
Molmol side menu).
+ * Creation of the 'molmol.tensor_pdb()' user function for displaying
the PDB geometric object of the diffusion tensor in Molmol over a loaded
structure.
+ * Preliminary support for PyMOL.
+ * Creation of the 'pymol.view()' user function for launching PyMOL.
+ * Creation of the 'pymol.cartoon()' user function for hiding
everything, showing the cartoon representation, and colouring the cartoon by
secondary structure.
+ * Creation of the 'pymol.tensor_pdb()' user function, the equivalent
of 'molmol.tensor_pdb()'.
+ * A unit test framework for the test suite has been created and a
few tests have been written (accessible through the --test-suite or
--unit-test command line arguments).
+ * Addition of the 'structure.create_vector_dist()' user function for
creating a PDB representation of the XH bond vectors of selected residues
from the structure.
+ * Addition of the 'pymol.vector_dist()' user function for displaying
the PDB representation of the XH vector distribution overlain over the
structure within PyMOL.
+
+ Changes:
+ * The unmodified Hessian and turning the line search off are now
specified by different regular expressions. (see task #3630)
+ * Splitting of the 'pdb()' user function into 'pdb.read()' and
'pdb.vectors()' (these have been subsequently renamed). (see task #3838)
+ * Created the JOBS file to describe the roles of the relax manager
positions.
+ * Removal of apply(func, args) calls from the minimisation code.
+ * Addition of the io.file_root() function.
+ * Addition of the RelaxImplementError for internal use.
+ * Added the text "re-run relax with the '--debug' flag" to the
RelaxFault error class.
+ * Redesign of the diffusion tensor data structure
'self.relax.data.diff' for the automatic calculation of diffusion tensor
parameters, vectors, and matrices when parameters are set or changed.
+ * The 'pdb' user function class has been renamed to 'structure'.
+ * The 'init_data()' user function has been renamed to 'reset()'.
+
+ Bugfixes:
+ * Fixed the selection of nucleic acids by name as Scientific python
was prefixing 'R' to the single letter codes.
+
+
+
Version 1.2.10
(12 January 2007, from /1.2)
http://svn.gna.org/svn/relax/tags/1.2.10
r3024 - /tags/1.3.0/docs/CHANGES