Chapter 1: Starting the Program and Setting the Data Sets

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Step 1: How to start the HKL-2000 program?

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Step 1: How to start the HKL-2000 program?

 

This section explains how to start the HKL-2000 program and set the working environment.

 

How do I start?

Hopefully someone has set up an alias and you have a path so that you can just type HKL2000 or some equivalent. Otherwise, the program is usually installed in /usr/local/bin and can be started by typing /usr/local/bin/HKL2000. Alternatively, the program can be installed in any directory. In that case the user has to set environmental variable HKLPATH to that directory. For instance if all programs are installed in the directory /home/user/prog2000, it is necessary to execute commands:

> setenv HKLPATH /home/user/prog2000

> alias HKL2000 $HKLPATH/HKL2000

Then type

> HKL2000

Can I start from any directory?

No. You must have file writing permission in your working directory, because the program writes the files reject, peaks.file, hklpredictions, den.in, den.out, scl.in, xdisp.in, and xdisp.out, to the working directory. What are these files?

reject is the list of rejected reflections created in scaling

peaks.file is the file that contains peaks selected by PeakSearch routine

hklpredictions is a binary file that contains a listing of predicted reflection positions

den.in is a listing of the commands used to run the indexing

den.out is a modified log file of the indexing

scl.in is the Scalepack input file

xdisp.in and xdisp.out are input and output files for the display program.

What are the files that make up the HKL-2000 suite, and what do they do?


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