[RASMB] UltraScan-III version 4.0 released
Borries Demeler
demeler at biochem.uthscsa.edu
Sun Dec 10 10:21:19 PST 2017
Dear Colleagues,
I am happy to announce the release of UltraScan-III version 4.0!
Our latest release has many new features (and undoubtedly many
new bugs), but also many bug fixes and improvements in the interface.
Some of the highlights:
* Full integration of US-SOMO based on the same Qt5.x framework
* Multi-platform support for Windows, Linux and Macintosh OS with
full database and LIMS integration
* Support for the new timestate feature of the Optima AUC, allowing
an arbitrary number of speed steps and acceleration zones to be
correctly modeled with rotor stretch and 1 second accuracy acceleration
profiles in the finite element solutions, providing improved RMSDs.
* support for fully threaded fitting applications and unlimited
amount of RAM, allowing desktop fitting to take advantage of
large multi-core desktop computers.
* direct integration with the new Optima AUC instrument. Live monitoring
of data acquisition and direct data import from the AUC instrument and
on-the-fly openAUC data format conversion.
* rotor stretch calibrations support for the 7-channel calibration mask
from Alexander Bepperling, providing superior boundary condition modeling
for finite element models, further reducing RMSD values.
* many new interface improvements. Simplification of solution, buffer,
and analyte databases, data editing, rotor stretch support in
finite element simulations.
* integrated buffer tables (same as Sednterp), vbar and e280 from
protein sequence, and absorbance spectrum support.
* New spectral fitter and spectral decomposition tools.
* and most importantly: New multiwavelength data analysis support functions!
* 2D/3D multi-wavelength viewer + 3D movies
* 2D/3D s-value distribution viewer
* species decomposition from known basis spectra
* Optima AUC multi-wavelength analysis support
LIMS users: Please be advised that all supercomputer clusters have been
upgraded as of this time to version 4.0 and all modeling will give best
results when the desktop software is matched to 4.0 as well. Therefore
we recommend that all users upgrade to 4.0. Some older datasets already
analyzed with previous versions can still be viewed with version 3.5,
which will remain available on our download website with the latest
3.5 release (revision 2379).
Users of older computers: We have discontinued the support for 32-bit
software for Windows and Macintosh since all half-way modern computers
now run 64-bit operating systems, and all have multi-core architectures.
Nevertheless, our last 32-bit release will remain on our website for
some time to support those of you still working on 32-bit computers, but
will only support version 3.3.
Ultrascan-III-in-a-box users: Please contact us for specific instructions.
Please contact me or Gary Gorbet (gegorbet at gmail.com) with any
questions about UltraScan-AUC. For UltraScan-SOMO questions, please
contact Emre Brookes (emre at biochem.uthscsa.edu) or Mattia Rocco
(mattia.rocco at hsanmartino.it).
Regards, -Borries
---
Borries Demeler, Ph.D.
Professor
The University of Texas Health Science Center at San Antonio
Dept. of Biochemistry and Structural Biology, MC 7760
7703 Floyd Curl Drive, San Antonio, Texas 78229-3901
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