SAXS

D2 is symmetric under reflection through a line, correct? I don't think DAMMIN can do D2 but you can specify:

• Symmetry: P2
• Anisometry: Prolate
• Anisometry direction: Along 2-fold axis

That would be a command line like:
$ dammin --sy=P2 --an=P --dr=L gnomfile.out

Thank you for reporting this. Which ATSAS version do you have? (you may check it in Primus: Help > About primus)

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?

In ATSAS there is no R² value calculation for the Guinier fit yet.
Please update your ATSAS version.

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...

Indeed. Thank you for reporting this.

Does your file name contain special characters, spaces etc.?

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

SASpy from ATSAS 3.0 works with Python 2.7 as well as with Python 3.7, please upgrade.

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...

Please remove ATSAS 2.8.4, download ATSAS 3.0 and follow these installation instructions.

You may take any "template" curve, run pddffit, then remove the second and third column from the output file.

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...

Due to multiple gentle requests, we have decided to reopen the Course registration. The new deadline is August 31 2019.

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.