Download ESCET Version 0.7 User Manual

Chapter 1
Introduction
ESCET is a script driven program to analyse and compare three-dimensional protein structures.
The central idea is to use estimated coordinate uncertainties throughout all calculations. The
underlying algorithms are described in a series of papers: [6, 7, 8].
This document contains a short introduction to the program. The easiest way to get started is
to look through the different scenarios discussed in chapter 3 and modify one of the examples
scripts.
Running the command ’escet -h’ from the unix-command line will create an html-file called
escet ref.html that can be used as a reference manual.
An ESCET-script file can be executed from the UNIX command line using a command of the
following form:
escet myscript.inp > myscript.log &
Diagnostic output will then end up in myscript.log, graphical output will be dumped to a
postscript file. Scripts to look at the output using RASMOL and or molscript are put into
files called myscript out.ras and myscript out.mol, respectively.
Currently, the program is only available as an executable for the Linux operating
system.
If you find the program useful, please cite the following paper: Schneider TR: A genetic algorithm for the identification of conformationally invariant regions in protein molecules Acta Cryst
D58:195-208 (2002). I would also very much appreciate to receive reprints of papers that report
the successful use of ESCET. Thank you.
Please report all problems to me (email: [email protected])
The program and its documentation are copyright Thomas R. Schneider (2000-05).
I would like thank the β-testers (in particular Karl Edman from Uppsala University) for putting
up with a semi-functional version of the program and for making lots of useful suggestions.
Andrea Cocito (IFOM Milan) has been very helpful in tracking down some very nasty bugs.
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