Dear CCPN users,
We are pleased to announce the release of ARIA version 2.3. An archive
containing the distribution can be downloaded from our server at
http://aria.pasteur.fr
The archive can be unpacked by using the command "tar xvzf
aria2.3.1.tar.gz". For installation, please follow the instructions
given in the README file provided with the distribution.
Version 2.3 is an extension of the version 2.2 of the program and
offers several new features.
This version of ARIA is now compatible with the version 2 of CCPN
software packages.
A new log-harmonic potential for distance restraints has also been
introduced. This potential allows for the determination of the optimal weight
on the experimental information and the resulting structures are of better
quality. To activate the use of this potential, go to "Structure Generation >
CNS > Annealing Parameters > Log-Hamonic potential" in the ARIA
Graphical user interface. Details on the log-harmonic potential can be
found in the original publication: Nilges et al. Accurate NMR structures
through minimization of an extended hybrid energy. Structure (2008)
vol. 16 (9) pp. 1305-12
The integration of the CCPN has been completed, too. ARIA can now
import structure models and structure ensembles from a CCPN project,
and use them as either initial structure for the simulated annealing protocol,
or as template structures for the initial assignment/calibration step. The data
imported and exported in different ARIA2.3 runs can be followed in
CcpNmr Analysis under the "NMR Calculations" menu.
The calculation of symmetric homo-dimers has been also extended to
trimers and pentamers with cyclic symmetry and also tetramers with
dihedral symmetry.
A list of additional new features can be found on the download page
http://aria.pasteur.fr/downloads/
The ARIA team
http://aria.pasteur.fr
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