Saxier Forum

Thank you for posting this link.
This is also described in the Installing ATSAS for Windows manual.

Hi Gabriela, thank you for reporting this. Could you please briefly describe your input (how many rigid domains? any symmetry used? any contact conditions?), how did you run CORAL (ATSAS online or on your PC; what is your ATSAS version) and, if possible, could you please send your input and the outp...

Thank you for reporting this. Could you please send us 'colhbind.fasta' and the *.pdb files so that we can reproduce and fix this problem.

Dear Cody, we cannot reproduce the "bad filename" error with ATSAS 3.0.2. E.g. this runs fine: $ranch sequence.seq -q 10 -i -w=. A test run with some stub experimental data and your sequence runs fine as well. Perhaps you could provide more details about your EOM input? Please check the full path to...

Additional questions and answers session: Tuesday July 7, 17:20 CEST (UTC +2)

Download ATSAS 3.0.2 (academic users only) Changes in programs: crysol : do not attempt to automatically re-calculate scattering in dialogue mode if the number of harmonics is considered insufficient, fixed atomic form factors of Rhenium and Osmium; crysol 3 : ask for contrast multipliers in dialog...

It looks like you don't have administrative rights to install programs to C:/atsas/ . If you are installing the latest version 3.0.1 it should suggest to install ATSAS to C:\Program Files (x86) . If that doesn't work, please try installing to your 'My Documents' folder, something like C:\Users\youru...

filport wrote: ↑

2020.05.19 14:54

"libgcc_s_sjlj-1.dll libgfortran-3.dll libsaxsdocument.dll" missing.

What command/program are you running before you see this message?

GNOM's number of points in real space cannot be higher than the number of input points in reciprocal space. And it cannot be more than 256. When you use GNOM from PRIMUSqt, the number of points might be automatically decreased when you decrease the input data range. Please note, the GNOM manual is a...

In addition, I am also looking for tips in manually calculating the Rg of samples, in excel, from raw .dat files. Any tips or best practices for this are appreciated, but not necessary. Excel might be a bit challenging. Try ATSAS AUTORG for an automatic Guinier approximation or DATRG for calculatin...

Thank you for reporting this. In the meantime here is the datmw --help output: Usage: datmw [OPTIONS] [FILE(S)] Molecular weight (MW) by multiple methods: --method=Porod MW from Porod Volume ( Petoukhov et al., 2012 ) Output: s max (Å -1 ), Volume (Å 3 ), MW (Da), file name --method=Qp MW from Porod...

https://www.embl-hamburg.de/biosaxs/courses/embl2020/img/poster-small.png Solution Scattering from Biological Macromolecules EMBL Online Lecture Course, May 5 - June 2, 2020 Tuesdays and Thursdays 9:20-10:30, CEST This online course aims at young biochemists/biophysicists and researchers active in ...

Indeed the manual has to be updated. Please run pre_bunch it like this: $pre_bunch sequence.seq domain1.pdb domain2.pdb --output my_pre_bunch.pdb For details see: $pre_bunch --help Usage: pre_bunch [OPTIONS] <SEQFILE> <FILE(S)> Generates an initial approximation for further use in BUNCH Known Argume...

han yin wrote: ↑

2020.03.17 13:48

...i could not open the supcomb command function: the command prompt window opens then instantly closes.

How to use the Windows command line
ATSAS: how to update/modify your PATH settings

Please install the SASpy plugin. Open your ab initio model and the crystal structure in PyMOL. Open SASpy, switch to the 'supalm' tab. Under 'Model selection' choose the two models and click 'Execute'. This will work well for globular models like lysozyme. If you have very elongated models it is bet...