AutoSHARP can be used to determine heavy atom phasing using SAD, MAD, SIRAS, MIRAS and partial structure solutions.
The full manual for using AutoSHARP can be found here.
Typically to run AutoSHARP you will need:
- A merged, scaled MTZ file
- An ASCII sequence file
- A PDB file of a partial model or MR solution (optional)
- A text file with externally determined heavy atom positions
To run AutoSHARP at Diamond you must first set up the environment variables by typing:
>module load sharp
Then you can start the program by typing:
There are a large number of options which are discussed in this pdf document and can be accessed by typing: