Search found 651 matches

by AL
2018.11.14 18:31
Forum: Working with Models
Topic: How to trim SAXS data that it won't come useless
Replies: 1
Views: 3541

where does the 256 points limitation come from?

I am using one program that can only process SAXS data containing 256 or less data points. ... ENSEMBLE contain three external programs and one of them is CRYSOL. I guess your question about rebinning data is already answered . But where does the 256 points limitation come from? CRYSOL can compute ...
by AL
2018.11.14 17:58
Forum: Mixtures and Flexible Systems
Topic: EOM - software issues
Replies: 3
Views: 2764

Re: EOM - software issues

nb_1993 wrote:
2018.10.04 14:44
I was using EOM on my PC. There weren't any error messages , its just closed .
What ATSAS version? Any error messages in the log?
Please run it online and send us the job id so we can investigate it.
by AL
2018.11.08 12:17
Forum: Rigid Body Modelling
Topic: Assembly a multi-domain protein from available mono-domain?
Replies: 5
Views: 3455

try SASREF online

Try SASREF online . Step 1 Experimental data: SAXS (X-ray) only, standard Number of curves: 1 Number of subunits: 2 Overall symmetry: P1 Step 2 Provide your experimental SAXS data and the two subunits. Check 'Provide contact conditions'. Step 3 Provide one contact condition by choosing the last resi...
by AL
2018.11.08 11:54
Forum: Primary Data Processing
Topic: How to reduce data points correctly in SAXS scattering data?
Replies: 1
Views: 3105

datregrid

Try datregrid. E.g.

Code: Select all

datregrid --join 3 file.dat
will join every 3 points by averaging.

To reduce the data q range use datcrop.
by AL
2018.11.08 11:49
Forum: ATSAS Package in General
Topic: ATSAS 2.8.4 for MacOSX
Replies: 1
Views: 4705

no GUI programs in the MacOSX 2.8.4 package

According to the ATSAS download page, due to incompatibilities of Qt4 there are no GUI programs (primus, chromixs etc.) in the MacOSX package of ATSAS 2.8.4, please use 2.8.3 for MacOSX instead.
by AL
2018.10.13 16:00
Forum: ATSAS Package in General
Topic: ATSAS release 2.8 is available
Replies: 6
Views: 6692

Re: ATSAS release 2.8 is available

I've downloaded ATSAS 2.8.4, installed it for a Mac (OS 10.13.6) but can't seem to find primus in the package. My ATSAS is currently stored in the 'Applications' folder. Am I missing something? Yes, you are: Due to incompatibilities of Qt4 with recent versions of MacOSX, there are no GUI programs (...
by AL
2018.09.28 14:44
Forum: Mixtures and Flexible Systems
Topic: Error : Gajoe : Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Replies: 1
Views: 2900

Install latest ATSAS

vas2201 wrote:
2018.09.21 22:05
******* GAJOE - version 2.1 - (r7883) *******
This is a bit outdated. Please download the latest ATSAS version and follow these instructions.
by AL
2018.09.28 14:35
Forum: Mixtures and Flexible Systems
Topic: EOM - software issues
Replies: 3
Views: 2764

EOM/ATSAS version?

Are you using EOM online or on your PC? Is there an error message?
by AL
2018.09.17 13:29
Forum: Mixtures and Flexible Systems
Topic: EOM ensemble has poor fit to scattering at high q
Replies: 2
Views: 2669

gajoe --no-constant

The fit is okay at low q... It's not okay - the Guinier region is not fitted: the R g of your experimental data is clearly greater than R g of your fit. Does the molecular weight estimated from your experimental data match the molecular weight calculated from your protein sequence? ... but at highe...
by AL
2018.09.17 13:13
Forum: Primary Data Processing
Topic: Extracting P(r) to Excel?
Replies: 2
Views: 2509

incomplete data in gnom.out

Your file appears to be corrupt - the actual data are missing. It comes from an older version of GNOM; make sure you have the latest version of ATSAS installed and reprocess your data following these instructions (steps 1-6).
by AL
2018.08.29 16:39
Forum: ATSAS Package in General
Topic: ATSAS download down to maintenance
Replies: 2
Views: 2934

ATSAS download available

The ATSAS download page is back online.
by AL
2018.08.29 12:24
Forum: ATSAS Package in General
Topic: ATSAS download down to maintenance
Replies: 2
Views: 2934

Re: ATSAS download down to maintenance

Moving to a new FTP server is taking longer than expected. This will be resolved within a few hours. Apologies for the inconvenience.
by AL
2018.08.28 11:44
Forum: Primary Data Processing
Topic: Data extrapolation required?
Replies: 1
Views: 2867

Re: Data extrapolation required?

QUESTION 1: the wild-type and mutant A are fine, different concentrations do not change Rg or Dmax... Mutant_A/S?.dat: from the rather narrow concentration range of 0.6-2.1 mg/ml I'd say there are concentration effects: the Guinier R g increases with concentration from 2.6 to 3.0 nm. The extrapolat...
by AL
2018.08.27 15:19
Forum: Mixtures and Flexible Systems
Topic: EOM online vs local : different results
Replies: 2
Views: 2614

EOM online command line options

I ran EOM on my computer with default parameters and it's turned out that they are totally different from those obtained with EOM online. Could you please be more specific? Are you sure you are running the latest version of ATSAS ? EOM online runs with arguments like these: $ eom sequence.seq --qua...
by AL
2018.08.15 13:56
Forum: Working with Models
Topic: Criteria for selecting models from Crysol output
Replies: 2
Views: 2869

Re: Criteria for selecting models from Crysol output

I am working on a two-domain protein. Two domains are connected with a small linker. Structure of one of the domains is solved from one organism and that of other is known from the other organism. You may try CORAL to fit your experimental data with a single model or EOM to fit your data with an en...