Content:

• Introduction
• Setup
• Existing tutorials
• Working with your own data

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Introduction

Please check this page from time to time for updates!

We hope to have images for all the mentioned tutorials available on the workshop computers. Please check the whiteboard during the tutorial for details.

Setup

Upon login, all software should be setup correctly. You can test that in a terminal by typing:

which process
which ipmosflm
which xds_par
which pointless

If this doesn't work (ie. you get an error message):

source /apps/admin/zcam2012-03.sh
source /apps/zcam2012-03/GPhL/setup.sh

If you brought your own data: please place them into a subdirectory with your own name (so things don't get too messy).

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Existing tutorials

• ACA/Chicago 2010 workshop:
• Se-MAD peak wavelength - 1o22 (this data is in /apps/zcam2012-03/GPhL/Data/1o22 - but network is very slow for copying)
• Se-MAD hrem/infl wavelength - 3isy
• Weakly bound Hepes molecule in lysozyme
• Tutorials for the ACA/New Orleans 2011 session
• Difficult high-resolution triclinic lysozyme
• Weak anomalous 2qvo and 1y13
• Challenging spots 3csl

There should also be data from the MOSFLM tutorial in ~/mosflm.

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Working with your own data

Once you copied your data over (e.g. into /home/student1/JoeMiller), you should start with checking if the image headers can be read. Let's assume you have images named test_001.img, this can be done with:

imginfo test_001.img

Does it return the expected values?

Then, try running autoPROC with all defaults, like

process -d 01 | tee 01.lis

Notes:

• the "-d 01" argument tells autoPROC to write all output into a subdirectory. This is a good idea i any case, especially if you will process the data several times, trying different approaches to get the best possible data out of it

• the "| tee 01.lis" part 'pipes' the standard output into a file (01.lis) while showing it in the terminal at the same time. Since the most important messages are given as a summary in standard output, looking at it and saving it in a file is good practice.

Have a look at the various messages (NOTE and WARNING messages ... hopefully no ERROR): do they make sense? Is there something interesting or unexpected?