Content:


Introduction

Here we will show only the most basic initial steps you might want to work through, if this is the first time you come across autoPROC. If you are responsible for installation of the software, please check the GettingStartedAdmin page too.

In the examples below we use % to symbolise the command prompt (to show that this needs to be typed in a terminal) and it should not be typed as such.


Using autoPROC

To use autoPROC, some environmental variables need setting. For that, two files (setup.sh and setup.csh) are created during installation. Depending on the shell used, a user needs to execute one of the following commands (with the correct installation path instead of /where/ever/autoPROC):

% . /where/ever/autoPROC/setup.sh           # bash/zsh/ksh/sh
 - or -
% source /where/ever/autoPROC/setup.csh     # csh/tcsh

One can check the current shell using eg.

% echo $SHELL
% ps

So if you are using "bash" and the software was installed in /home/software/autoPROC/20200206, the relevant command would be

% . /home/software/autoPROC/20200206/setup.sh

Some sites/labs will use a different system for setting up programs and environments: please ask your local IT management. If the setup of crystallographic software is not handled automatically, you might want to add any necessary commands to your ~/.bashrc or ~/.cshrc file (note: differnet shells and differnet operating systems might use differnet files during shell startup).

Please note that all external programs used by autoPROC (CCP4, XDS) are expected to be in the users PATH and set-up correctly.

More details about those setup scripts above (and what they intend do achieve) can be found here.


Simple run

If you are desperate to get started quickly:

      % process -d 01 | tee 01.lis
      % process -h5 /where/ever/some_master.h5 -d 01 | tee 01.lis

That wasn't that difficult, right? However, there are various rather common issues that could prevent this simple command from performing as expected or hoped. So it might be a good idea to look at some of the other topics on this Wiki and to read the online documentation (also available locally in your installation - see process -h output for a pointer). It is also a good idea to have a printout of the autoPROC reference card: the most up-to-date version will be available in your local installation at

$autoPROC_home/docs/autoproc/manual/autoproc_reference_card.pdf

Some common next steps

Options and steps to try next - either because the simple run didn't work or you think it could be better: