ATSAS release 2.5.2

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Hayds
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Location: EMBL, Hamburg

ATSAS release 2.5.2

#1 Post by Hayds » 2014.02.05 14:27

Dear Small-Angle Scatterers,

this message is to announce a new update to ATSAS release 2.5.

The features of this release include:

Changes ATSAS-2.5.2
===================

Changes in programs
-------------------
* almerge: minor fixes
* autorg: works on data with outliers (very high intensity points), minor fixes
* bunch: TER added at end of generated pdb file
* coral: Now writes domain pairs into log file, error messages improved, improved handling of empty lines at end of config file.
* crysol: increased maximum number of points to 5000 in the predicted curve, fixed option validation
* cryson: increased maximum number of points to 5000 in the predicted curve
* damaver: input validation and error messages improved, minor fixes
* dammif: minor fixes
* datcmp: minor fixes
* datrg: minor fixes
* datporod: result no longer dependent on the GNOM file data range
* gasbor: enabled definition of input data units, minor fixes
* globsymm: minor fixes
* pdb2alm: Uninitialized variable crash fixed
* pdb2seq: minor fixes
* primus/qt: minor fixes
* sasref: iSeed intialization fixed
* sasrefmx: iSeed initialization fixed
* supcomb: enantiomorph option handling improved, minor fixes
* manual: updated

Notes
-----
* For graph output, GNUPLOT version 4.2 or later is required, this
version is not available on CentOS-5.x!
* Due to bug in Qt #23157 SASDOC does not work on MacOS-10.6


ATSAS 2.5 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 to the forum:http://www.saxier.org/forum

With best regards ATSAS Team

Martin_NP
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Posts: 16
Joined: 2012.01.24 11:38
Location: Grenoble

Re: ATSAS release 2.5.2

#2 Post by Martin_NP » 2014.02.12 17:21

cheers! :)

i have just installed the newest release on my mac with OS 10.9. there is a spelling mistake in the file extension of the file you download but if you rename it from "file.mdg" to "file.dmg" it works without problems.

Edit:
i have a small (and weird) suggestion for future releases of primusQT you can consider
'non-qt' primus uses \r\n for newline while primusQT uses \n in gnom .out files. with \r\n you can read multiple PDDFs into matlab and plot them together. With regular expressions, you use \r\n\r\n as a 'split string' to split the .out file into separate parts and then read them in. for some reason, this does not work with \n.

i am looking into why and for a fix but also want to ask if it would be a problem to use \r\n instead. naturally, you have to consider all your users and not just me, but i think most users don't care about which sequence is used for newline :P

edit 2:
strsplit: http://www.mathworks.se/help/matlab/ref/strsplit.html can read it properly and the code now works - so never mind :)

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AL
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Re: ATSAS release 2.5.2

#3 Post by AL » 2014.03.14 13:53

Martin_NP wrote:there is a spelling mistake in the file extension of the file you download but if you rename it from "file.mdg" to "file.dmg" it works without problems.
Thank you for reporting this. It is fixed now.

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