Here we will collect some information regarding use of our software (during tutorials or when using it on your own) that is particular to the setup during the DLS-CCP4 Data Collection and Structure Solution Workshop (December 13-20 2016).

We will try and keep this page here up-to-date as we get settled in during the course.


You might need to load a so-called module (every time you open a shell/terminal):

% module load ccp4-workshop
% module load sharp

NOTE: the current version of SHARP installed here is from September 2015, so not quite up-to-date. We are trying to fix that asap, but be prepared for some potential side-effects and issues.

There are different ways of running autoSHARP:

      Experimental Phasing
        --> Automated Search & Phasing
              --> autoSHARP
          % coot --script 04_coot.scm

Example datasets and tutorials

There are several examples and tutorials available, e.g.

          % -seq 1o22.pir -ha "Se" \
                             -wvl 0.9778 peak -7 5 -sca \
                             -id autoSHARP_SAD | tee autoSHARP_SAD.lis
          % -seq 3isy.pir -ha "Se" \
                             -wvl 0.97934 infl -11 3.3  -sca \
                             -wvl 0.91162 hrem -1.8 3.3 -sca \
                            -id autoSHARP_MAD | tee autoSHARP_MAD.lis
          % -seq 3ZFT.pir \
                             -nat -sca \
                             -ha "Hg" -nsit 1 -wvl 1.54179 -sca \
                             -ha "Ir" -nsit 2 -wvl 1.54179 -sca \
                             -id autoSHARP_MIRAS | tee autoSHARP_MIRAS.lis