Search found 86 matches

by ckerr
2015.08.10 11:21
Forum: Ab Initio Shape Determination
Topic: chi-square = -1
Replies: 4
Views: 5621

Re: chi-square = -1

It seems that a chi-square value of -1 means that no information about the experimental errors is available, so that the chi-square is undefined. This should be better documented, and we will update the next release of ATSAS to give an appropriate warning message.
by ckerr
2015.08.10 11:19
Forum: Primary Data Processing
Topic: P(r) function scores from SAS data analysis
Replies: 5
Views: 3083

Re: P(r) function scores from SAS data analysis

I'm interested by the values of "Points", "Alpha" and "Range" in your screenshots. Do these really show up as illegible characters?
by ckerr
2015.07.06 15:01
Forum: Feedback
Topic: p(R)
Replies: 1
Views: 8760

Re: p(R)

What you get is the scattering from the filler, minus the scattering from the polymer that would have been in the space taken up by the filler, plus any scattering caused by changes in the local structure or density of the polymer near the filler particles.
by ckerr
2015.06.18 12:10
Forum: Primary Data Processing
Topic: GNOM error please help
Replies: 2
Views: 1951

Re: GNOM error please help

From the GNOM manual at http://www.embl-hamburg.de/biosaxs/manuals/gnom.html Experimental conditions IDET The user must define which type of experimental set-up is used: 0 no smearing, 1 1D-detector (slit geometry with rectangular slits is assumed), 2 means 2D-detector (the data is obtained by a cir...
by ckerr
2015.06.18 09:32
Forum: Primary Data Processing
Topic: GNOM error please help
Replies: 2
Views: 1951

Re: GNOM error please help

As a guess, changing one option causes GNOM to ask additional / different questions, which means that subsequent input parameters are inappropriate. However, I can't be sure unless you send in the script and the error message (either as an attachment or to ckerr@embl-hamburg.de), and tell me what ve...
by ckerr
2015.06.01 08:13
Forum: Mixtures and Flexible Systems
Topic: GAJOE - version 2.1 - (r4556) ERROR
Replies: 3
Views: 2118

Re: GAJOE - version 2.1 - (r4556) ERROR

The fix is relatively simple: GAJOE 2.1 expects a separator line between the last domain and the rest of the log, whereas GAJOE 2.0 only outputs a separator before each domain section. So you just have to add a line of dashes where it says ">>>ADD THIS LINE>>>" in the code below. Number of domains: ...
by ckerr
2015.05.26 13:47
Forum: Mixtures and Flexible Systems
Topic: GAJOE - version 2.1 - (r4556) ERROR
Replies: 3
Views: 2118

Re: GAJOE - version 2.1 - (r4556) ERROR

Please can you either attach a copy of the 2H.log file to this post or email it to ckerr@embl-hamburg.de
by ckerr
2015.05.15 09:54
Forum: ATSAS Package in General
Topic: Ubuntu 14.04
Replies: 5
Views: 5345

Re: Ubuntu 14.04

Ubuntu 14.04 is one of the available downloads, but the list at http://www.embl-hamburg.de/biosaxs/download.html hasn't been updated. When you log in and go to the list of downloadable packages, you will see Ubuntu 14.04 as one of the options.
by ckerr
2015.05.06 17:14
Forum: ATSAS Package in General
Topic: installing Crysol
Replies: 8
Views: 6692

Re: installing Crysol

chgupta wrote: I downloaded the package, but trying to run the example gives the following error:
Did you do anything between downloading the package and trying to run the examples? If so, what?
by ckerr
2015.04.29 11:21
Forum: ATSAS Package in General
Topic: installing Crysol
Replies: 8
Views: 6692

Re: installing Crysol

Based on a quick internet search it seems that Linux Mint 17 is based on Ubuntu 14.04, so you should first try the ATSAS package for Ubuntu 14.04
by ckerr
2015.04.17 14:48
Forum: Mixtures and Flexible Systems
Topic: Attempting to Use EOM with Ig Fragments
Replies: 7
Views: 3600

Re: Attempting to Use EOM with Ig Fragments

A contact file might do what you want. The documentation only talks about symmetric proteins but I think it should also work for heterodimers.

http://www.embl-hamburg.de/biosaxs/manu ... ontactFile