MAD Scripts for rapid structure solution
The ultimate way to validate a diffraction data collection experiment is to be able to extract meaningful phases from the data. In the particular case of MAD and SAD experiments, where the approach to structure solution is highly systematic, it should be possible to attempt phasing and model building during the beamtime run.
An unfamiliar computing and software environment, combined with increasingly fast paced experiments may preclude users from going beyond intensity integration and scaling to full "on-line" structure solution. The SSRL MAD scripts are developed to facilitate this task, hiding the complexities of the software installation on the macromolecular crystallography file server and providing automated input to all the programs in the structure solution pipeline with minimal edits from the part of the user.
For a detailed description of the script, required input, usage and output, see the script documentation pages.
Running the script on non-SSRL computers
You can copy or download the MAD scripts and run then on your home computer. Please read the disclaimer and permission notice. In addition to the scripts, you can get MAD test data set to test the scripts.
The solve_structure scripts require the following software:
The first section of the script after the user edits sets site dependent environment variables. You will most likely need to edit these.
The script runs on Linux. It may run on other platforms without substantial modification, but it has not been tested.
|Technical questions: Webmaster
questions: Ana Gonzalez
|Last modified:Monday, 16-May-2016 16:45:25 PDT.|