Search found 660 matches

by AL
2019.12.03 12:57
Forum: Rigid Body Modelling
Topic: Pre-bunch Issue
Replies: 3
Views: 83

Re: Pre-bunch Issue

jaala wrote:
2019.11.15 00:53
...Then it continues to ask me to input pdb file name and will not continue to the next step...
This means pre_bunch cannot find the pdb file. Are you are running pre_bunch from the command line in the folder with your pdb files?
by AL
2019.12.03 12:53
Forum: Primary Data Processing
Topic: R2 value for Guinier plot
Replies: 1
Views: 1564

Re: R2 value for Guinier plot

In ATSAS there is no R2 value calculation for the Guinier fit yet.
Please update your ATSAS version.
by AL
2019.12.03 12:48
Forum: Primary Data Processing
Topic: How to normalize/process I(0)
Replies: 1
Views: 2121

Re: intensities need to be normalized by some parameter

I am working with several SEC-SAXS curves obtained at Petra III during different trips... If you want to use I(0) from the Guinier approximation for MW calculations you need data collected on an absolute scale and you need to know the concentration in each frame. In theory, you can use the UV trace...
by AL
2019.11.20 07:10
Forum: Working with Models
Topic: ATSAS 3.0 damaver error
Replies: 2
Views: 158

Re: ATSAS 3.0 damaver error

Indeed. Thank you for reporting this.
by AL
2019.11.20 07:00
Forum: Rigid Body Modelling
Topic: Pre-bunch Issue
Replies: 3
Views: 83

Check your file name

Does your file name contain special characters, spaces etc.?
by AL
2019.11.11 20:11
Forum: Rigid Body Modelling
Topic: CORAL crash when selecting .con file
Replies: 6
Views: 7270

Try CORAL online

asherat wrote:
2019.10.31 16:30
When starting my CORAL run the windows closes in the independent actions:
Does CORAL online work for you?
*ATSAS online account required
by AL
2019.11.11 00:14
Forum: ATSAS Package in General
Topic: Request for Python3 version of saspy.py
Replies: 1
Views: 6718

Try ATSAS 3.0

SASpy from ATSAS 3.0 works with Python 2.7 as well as with Python 3.7, please upgrade.
by AL
2019.11.01 14:40
Forum: ATSAS Package in General
Topic: ATSAS release 3.0 is available
Replies: 3
Views: 588

ATSAS release 3.0 is available

Download ATSAS 3.0 (academic users only) Supported platforms: Windows 7, 8 and 10; macOS 10.12 Sierra, 10.13 High Sierra, 10.14 Mojave; Ubuntu 16 and 18; Debian 9; Red Hat/CentOS 7. New programs: cif2pdb - converts mmcif files to pdb format; temporary module to use for ATSAS programs that are not y...
by AL
2019.10.31 15:08
Forum: ATSAS Package in General
Topic: ATSAS 2.8.4-1 installation and SASpy PATH errors
Replies: 1
Views: 1908

Try ATSAS 3.0

Please remove ATSAS 2.8.4, download ATSAS 3.0 and follow these installation instructions.
by AL
2019.08.20 13:33
Forum: Primary Data Processing
Topic: SAXS from P(r)
Replies: 3
Views: 6958

Re: pddffit

You may take any "template" curve, run pddffit, then remove the second and third column from the output file.
by AL
2019.08.19 08:42
Forum: Primary Data Processing
Topic: SAXS from P(r)
Replies: 3
Views: 6958

pddffit

Sure, it is called pddffit. $ pddffit --help Usage: pddffit <PDDFFILE> <DATFILE> [OPTION] Fits a pair distance distribution function to experimental data. Known Options: -o, --output=FILE write the output to this file instead of stdout -v, --version print version information and exit -h, --help prin...
by AL
2019.08.19 08:37
Forum: Announcements
Topic: EMBO Global Exchange Lecture Course, October 2019, Chile
Replies: 1
Views: 5183

Registration deadline extended

Due to multiple gentle requests, we have decided to reopen the Course registration. The new deadline is August 31 2019.
by AL
2019.08.07 18:32
Forum: Mixtures and Flexible Systems
Topic: EOM online error
Replies: 4
Views: 5388

spaces in file names are not allowed

Thank you for sending the files. The sequence file name contains spaces, apparently, this is not allowed. Please replace spaces with e.g. underscores and EOM will start.
by AL
2019.08.05 10:26
Forum: Mixtures and Flexible Systems
Topic: EOM online error
Replies: 4
Views: 5388

Re: EOM online error

In order to reproduce the problem we'd need all the files you have submitted. Could you please send us these files via email or post them here?
by AL
2019.08.02 09:47
Forum: Mixtures and Flexible Systems
Topic: EOM online error
Replies: 4
Views: 5388

change sequence file extension

Thank you for reporting this.
Could you please change the extension of your sequence .fasta file to ".seq"?