PXSim Applet Home Page
John W. Campbell
Run PXSim in Web page
Launch PXSim from Web page
Introduction
PXSim is a program, written in Java, for carrying out simulations of
Protein Crystallographic diffraction images and analysing the unique data
coverage for one or more crystal settings and series of diffraction
images. It is intended primarily as a teaching tool to enable the user
to investigate, in some depth, the nature of X-ray diffraction
patterns and the amount of data which may be collected using various
settings or methods. The program may be used for simulating
diffraction patterns for the Rotation, Weissenberg and Laue methods of data
collection and analysing the extent of data which may be measured
using those methods.
The use of Java was chosen so that the program could be made available
for use across the internet as well as being in a form suitable for
porting to any Java supporting platform.
Much of the functionality is based on code from the
CCP4 program suite.
The program is based around a
Java Development Library (JDL)
which includes the
JdlView windowing toolkit,
objects for handling
crystallographic calculations, general purpose objects and objects
for handling the keyworded
Diffraction Data Module (DDM) set of
parameters on which the calculations are based.
Demonstrations
PXSim has two inbuilt datasets to enable the user to try out the main
features of the program without having to generate a set of input
parameters.
Documentation
For further details on how to use the program see the
PXSim User's Guide.
Additional details of how to manipulate the JdlView objects used by
the program may be found in Part 1 of the JdlView documentation, the
JdlView User's Guide
Access to Local Files and Printer
By default, applets are not allowed to access local files. Though all
parameters for PXSim can be set up manually, in most cases it will be
desirable to enable DDM parameter files to be read and written. A
description of how this may be accomplished may be found in the
JDL Based Applets and File
Access document. Printer access from the applet versions of
the program will be likewise restricted.
Running PXSim as an Applet
The program may be run as an applet either with the main program
window within the Web page or as a separate window launched from
a web page. The required option may be selected via one of the
following links:
Run PXSim in Web page
Launch PXSim from Web page
Note: When pages containing applets are left and re-visited, different
browsers act in different ways, and not always as they should.
The applets have been set up to deal with this as best as possible
but, where possible leaving and re-visiting the page while using
the applet is best avoided. In any case it should be noted that
if a simulation (or unique data coverage) plot is displayed, this
will be removed when the page containing the applet is left and
that, when the page is re-visited, the program will re-display
the main menu. Any DDM parameters input to the program will however retain
their values.
Contact
campbell_j_w@bcs.org.uk
August 2005