ATSAS release 2.6.0

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Hayds
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Joined: 2008.05.21 19:01
Location: EMBL, Hamburg

ATSAS release 2.6.0

#1 Post by Hayds » 2014.11.12 17:07

Dear Small-Angle Scatterers,

this message is to announce the new ATSAS release 2.6.0

The features of this release include:

New Programs
============
* ambimeter: evaluates the ambiguity measure of the given scattering profile
* dam2dam: regrids a dummy atom model onto another
* datclass: classify scattering patterns in folded/unfolded
* datvc: Molecular weight estimate by Volume of Correlation
* glycosylation: adds glycans to a pdb file
* gnomplot/qt: basic cross platform GNOM .out viewer
* out2fit/out2pofr: tools to extract fit and p(r) from GNOM .out files
* polysas: interactive analysis of polydisperse systems and multiple data sets
* sasrefcv: sasref with options for contrast variation
* shanum: assessment of the useful data range using Shannon sampling

* crysol3: alternative crysol version with different generation of hydration shell
* gnom5/datgnom5: modernized implementation of gnom, sanitized user interface, used by primus/qt

Note that crysol3 and (dat-)gnom5 are technical preview versions that will
likely replace crysol and (dat-)gnom in the next major release.


Replaced or Renamed Programs
============================
* pdb2alm -> dam2alm
* pdb2is -> dam2is


Removed Programs
================
* credo, chadd, charge
* dimfom
* gloopy
* sasha


Changes in Programs
====================
* all programs: general bug fixes and improvements
* all programs: report Chi^2 (not SQRT(Chi^2) as some did previously)
* alpraxin: updated user interface
* bodies: updated user interface, predict and DAM output modes
* coral: loopdb is now part of the installation package
* crysol/cryson: allow up to 5000 data points in predicted curve
* dam2alm: allow up to 50 harmonics
* dam2is: updated user interface
* damclust: updated user interface
* datcmp: pair-wise correlation map set as default test
* eom: usage of multiple pools, quantitative characterization
of flexibility
* oligomer/ffmaker: analysis with volume constraints
* pdb2seq: updated user interface
* primus/qt: updated user interface, ab initio, oligomer, crysol wizards
* primus/qwin: improved selection of multiple data sets
* sasdoc: manual updates
* sasplot/qwin: updated hotkeys and plot types, added color menu



IMPORTANT NOTES:

* It is advised to ensure that previous versions of ATSAS are uninstalled prior to installation of ATSAS 2.6.

* The ATSAS development team plan to discontinue support for the following operating systems in subsequent releases: winXP, MacOS 10.7, Debian 6, Ubuntu 10. Please contact us if support should be maintained for any of these platforms at atsas@embl-hamburg.de .



ATSAS 2.6 is free for download for academic users from
http://www.embl-hamburg.de/biosaxs/download.html

If you have questions or problems using ATSAS,
please post your queries here.

With best regards ATSAS Team

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