Forgot, in case you don't know, the v2 download page is at:
http://www.ccpn.ac.uk/ccpn/software/downloads-v2
Wayne
On Tue, 14 Oct 2008, Wayne Boucher wrote:
> Hello,
>
> We've just released v2.0.4 of the FormatConverter and Analysis (the C and
> Java APIs have not been released yet, but will be in the next few days).
>
> This is mostly a bug fix release over 2.0.3 but there are some added bits
> of functionality, e.g. to do with structure display and shape viewing.
>
> One thing that has been added to the installCode.py script is that it will
> automatically get all the latest updates. (In fact it doesn't even ask
> you if you want to do that, which has already caused me grief when I was
> testing the release, so I will change that when I remember to.) Note that
> this script is not run if you update from inside a current version of
> Analysis.
>
> In terms of future releases, the next release of Analysis will hopefully
> have a fairly big data model change in it. Currently in Analysis you have
> one data model SpectrumWindow object corresponding to one window popup
> (for the contour drawing of spectra). This does not work so well for how
> we intend people to view and work with 1D shapes (of projection and
> reduced dimensionality spectra), where we want different shapes lined up
> in frames on top of each other. This means the introduction of two new
> classes into the Analysis part of the data model. In the current release
> we instead have the equivalent ND spectrum being re-constructed on the
> fly. This is not ideal (and that code needs optimising). But I imagine
> most of you are not dealing with these kind of spectra yet!
>
> Wayne
>
> Below is a list of changes that Tim could remember that have happened
> since v1.0.15 through v2.0.4. No doubt more has happened, but it should
> give you a reasonable idea.
>
> In LinkPeakLists, 3D windows are no longer mandatory for navigating in
> 2Ds.
> Added ability to load PDB files for missing residues. Ability to work
> with structure ensembles throughout Analysis.
> Added ChemicalShifts table for PostScript generation, etc.
> Added DANGLE (dihedral angle and secondary structure prediction based on
> chemical shifts)
> Old default CCPN macros now removed and replaced by options in assignment
> menu.Added editing of isotope labelling schemes. Added isotope labelling
> schemes to restraint generation, atom browser and predicting peaks from
> structures.Re-organisation of main menus.Unification of popups by using
> tabs.
> Added the ability to display RMSD and residue validation results on a
> structure.Added the ability to setup spectrometers and instruments, with
> which experiments were run.
> Added Nexus, an automatic backbone assignment routine.
> Linking sequential spin systems can now use 1H-correlation spectra.
> Added user profiles.
> Negative contour levels can be set separately from positive levels now.
> Added ability to update existing distance restraints in light of new peak
> assignments.Secondary chemical shifts now use sequence-dependent
> adjustments.
> In violation analysis added the proportion of ensemble violated, and
> colour coded accordingly.When importing PDB structures, the PDB chain
> codes and sequences are preserved where possible. Added Greek unicode
> characters to atom browser.
> Added ability to work with through space peak lists other than NOESY, eg.
> solid state experiments.Format Converter threading defaults to off when
> launched from Analysis.
> Added ability to customise residue codes via profiles.
> Added ability to load and describe reduced dimensionality / projection
> spectra.
> Clicking on the structure viewer highlights the names of the selected
> residue.
> Analysis code re-organised into subdirectories.
> Added icons for help, close and the new popup function, clone (which makes
> a new popup of the same sort).
> Added ability to quickly add a sequence without having to go through all
> the complicated setup.
> Added residue tab to Edit Structure popup. This displays phi/psi angles,
> RMSDs, validation results, etc.
> When precisely placing peaks in pseudo-3Ds, they are displayed in all
> visible planes.
> Spin system typing much faster now.
> Big revamp of Ramachandran plot and NOE matrix plot.
>
|