[RASMB] UltraScan Solution Modeler (US-SOMO) Updates

[Emre Brookes]

Dear RASMB members,

An update US-SOMO has been released. This update primarily focuses on 
improvements to the Small Angle Scattering module.

These updates include:

* P(r) functions now support curves with standard deviations.
* Calculation of Rg from P(r) is performed automatically with all plots 
& loads of P(r) curves.
* Both I(q) and P(r) fits have the following new options:
* Use standard deviations in fits (if present)
* Save NNLS fit information to a CSV file
* Plot NNLS contributing curves

Other new features include:

* An important bug-fix to the calculated vbar of structures with non 
coded residues (Automatic Bead Builder). Thanks to Ute Curth for 
discovering this issue.
* In batch mode, when all models of a multi-model PDB are selected, the 
PDB is split into single model temporary files, allowing much larger 
multi-model PDB files to be processed due to the lower memory requirements.
* US-SOMO managed temporary directories are checked and cleared (subject 
to clicking "OK") if they exceed a set size (default 50MB, configurable).

*** US-SOMO Web now available! ***

US-SOMO Web, https://somoweb.genapp.rocks, provides a convenient way to 
compute hydrodynamic, structural and circular dichroism calculations.
Features of US-SOMO Web not present in the desktop version include:

* Support for mmCIF file input
* Ability to directly compute properties of AlphaFold models by 
providing a UniProt accession code
* SESCA circular dichroism calculations

Limitations of the web version:

* Only SoMo Overlap Bead Models and the ZENO method are used with 
non-modifiable options
* Only the first model of a multi-model structure is processed
* Default configuration files are used and are not editable
* No advanced SAS, HPLC-SAXS nor Batch methods are supported

We will gladly consider feature enhancement of US-SOMO Web, please 
contact us via the Feedback tab on US-SOMO Web or email us directly.
More details available https://doi.org/10.1007/s00249-023-01636-1

Get the latest information and download instructions at 
https://somo.aucsolutions.com

Best regards,
Emre Brookes emre.brookes at umontana.edu
Mattia Rocco mattia.rocco at quipo.it