Search found 7 matches

by han yin
2020.11.26 06:26
Forum: Model evaluation and manipulation
Topic: SASpy FileNotFoundError Exception in Tk callback
Replies: 0
Views: 13

SASpy FileNotFoundError Exception in Tk callback

Hi everyone. I have installed the SASpy plugin following on the guide here https://www.embl-hamburg.de/biosaxs/manuals/saspy.html, i installed it from the plugin folder that came with the ATSAS package. And i have edited ATSAS 3.0.3 pathway into the pymolrc file. I then tried to run supalm with the ...
by han yin
2020.11.25 19:45
Forum: ATSAS package in general
Topic: Cannot skip the "contact file name" in EOM
Replies: 0
Views: 11

Cannot skip the "contact file name" in EOM

Hi everyone. I have recently installed ATSAS 3.0.3 to try out the EOM function. I am using the example files from the doc folder, and once the commands reach "Contacts file name (define distance constraints/contacts between subunits)? (CR for none)", pressing enter will generate the same message and...
by han yin
2020.03.17 13:48
Forum: Ab initio shape determination
Topic: Overlay abi initio with crystal structure
Replies: 3
Views: 2227

Re: SASpy

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 be...
by han yin
2020.03.03 17:12
Forum: Ab initio shape determination
Topic: Overlay abi initio with crystal structure
Replies: 3
Views: 2227

Overlay abi initio with crystal structure

Greetings I am practicing abi initio modelling with ATSAS 3.0.1 and mono-disperse lysozyme sample. I have a working model that i'd like to overlay with the crystal structure of lysozyme from PDB database. Anyone know how could you do this in Pymol? Since the Abi initio only provides an "envelope" of...
by han yin
2019.11.13 23:31
Forum: Model evaluation and manipulation
Topic: ATSAS 3.0 damaver error
Replies: 2
Views: 1418

Re: ATSAS 3.0 damaver error

I can confirm that i have encountered the exact same error when running DAMMIF from PRIMUS with ATSAS 3.0.0 I have tried to install 3.0.0 on different drives after a clean uninstall/install protocol. I have followed the PATH variable set up on this page here https://www.embl-hamburg.de/biosaxs/manua...
by han yin
2019.10.29 16:53
Forum: SAXS & SANS Software
Topic: Running Dammin from Scatter
Replies: 2
Views: 11697

Re: Running Dammin from Scatter

Greetings

I also have this issue where scatter fails to call DAMMIF/DAMMIN from it's interface.

I've noticed theres a reverse dash on the location call of dammin from Atsas\bin where DAMMIN/F COMMAND C:\Program Files (x86)\ATSAS 3.0.0\bin/dammin.exe

Could this be a bug with Scatter?
by han yin
2019.10.11 13:34
Forum: SAXS & SANS Software
Topic: SCATTER program file format
Replies: 1
Views: 3038

SCATTER program file format

Greetings I am fairly new to the SCATTER-biosis program and i have been struggling to load some data files. On the website they said the program accept dat files, however i can only load dat files generated from Diamond Light Source institute. I have some dat files from Anton Paar's instrument and n...