Dear Colleagues,
ATSAS 2.7 has been released. Academic users can download ATSAS here:
http://www.embl-hamburg.de/biosaxs/download.html
New programs:
* sreflex: flexible refinement of high-resolution structures based on
SAXS and normal mode analysis;
* supalm: rapid superposition of high and low resolution models
(including EM density maps) using spherical harmonics;
* datshanum: quantitative assessment of useful angular data range;
* datmow: molecular weight estimation;
* SASpy: ATSAS plugin for PyMOL.
Changes in programs:
* all programs: bug fixes and minor improvements;
* all programs: updates to the manuals;
* ambimeter: now allows to control which files are created;
* autorg: improved identification of Guinier region;
* bodies: predict scattering patterns and provide dummy atom models of
supported body types;
* crysol and cryson: missing experimental data points in fits are now
set to 0.0; include experimental errors in output by default;
* dammif: maximum_beads option to avoid excessive memory use if
incorrect parameters are specified;
* datclass: multi-class classification (compact, extended, flat,
random-chain, ...) of experimental data;
* datporod: also accept non-regularised experimental data;
* ffmaker: accept up to 5000 form factors;
* gnom5: accept beam profile for slit smearing;
* oligomer: changed column order in fits to be consistent with other
programs;
* pdb2seq: allow to select a particular chain of a multi-chain PDB file;
* primus/qt:
- support for 1000+ data files,
- adaptive zoom,
- improved filtering,
- fit wizard updates,
- new SVD wizard,
- regrid angular vector,
- integration of sreflex,
- manual porod volume estimation,
- support slit profiles and infinite slits in gnom,
- online file properties,
- automatic check for new ATSAS versions,
- generated files no longer have temporary file names as parents;
* svdplot: now available on all platforms, but does not call sasplot
for immediate plotting (use the SVD wizard of primus/qt instead);
* sasplot/qwin:
- added option for dynamic reloading of files updated during the
sasplot session,
- wildcards in the command line become available for loading
multiple files,
- option parsing now supports both '/' and '-' symbols.
Removed programs:
* ranlogs;
* supcomph;
* supmon.
With best regards,
ATSAS Team
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