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Paul Scherrer Institut PSI Neutron Diffraction Group - Paul Scherrer Institute
PSI NUM LNS LDM SINQ DUO   phone & e-mail




Updated:
03.11.2010
E-Mail: jurg.Schefer@psi.ch -

List PC-Diffraction-Programs
PC-Software download from LNSA15 (FTP, user=lnslib, pw=??, directory=pclnslib), the NT-group account G:3300 (Diffraction-Software) or directly from the ccp-14 site (Collaborative Computational Project Number 14) or DMOZ (open directory project).
License: : free, : free with registration, : LNS-staff only.
Code 3300: Software download from disk lnswin or lnsmac
Access: LNS-Staff (group 3300)

General Diffraction Programs
(in brackets: LNS contact person)

Atoms : Structure plots and powder pattern simulation Download, Manual
DrawXT : Structure plots Download, Manual
Diamond : Structure plots and powder pattern simulation (3300)
Cryscon : Change of input format for different programs Download, Manual
Match : database search for matching powder data (D. Sheptyakov, restricted to 1 PC)
Mody : Magnetic groups and representations Download
Sarah : Magnetic groups and representations Download
Crystals: Powder Refinment, Structure Plots Download
Creduc: Search for primitive cell
spcgrp: Spacegroups and its elements (3300)
Missym: Search for missing symmetry elements
Cdfile: Support program for myssym and creduc
Cdedit: Support program for myssym and creduc
FOX Structure solution/refinement from NPD, Xray (direct method) Download, Manual
EXPO Automatic structure determination from powder data Download, Manual
FIT: Program to fit any data (3300)
LATEX(Miktex)/Editor(TeXnicCenter) (3300)
OpenDX (3300)

Powder Diffraction Programs

Fullprof : Refinement of neutron- and X-ray diffraction data Download, Manual/Tutorials, Input-File
Lazy Pulverix : Simulation of powder patterns for X-ray/neutrons Download, Manual, Input-File Powdercell : Multiphase Analysis using Database Structures. Download, Manual
Single Crystal Diffraction Programs

Jana2000 : Refinement of single crystal data Download, Manual, Manual to Print
Orient-Express : Indexing of Laue-pictures Download-Page or ZIP-file

Access to PSI-computers through private internet provider
(Schefer):
Start first your connection to your privat internet provider. Afterwards, start VPN, Putty and WINX-32.

VPN : Secure VPN connection to 129.129.xxx.xxx computers. Download
Putty : Telnet and SSH-client. Download
Xming: Mirrors X-windows to your home computer (replaces X-Win32). Download or (3300)
X-Win602sf: Mirrors X-windows from sites 129.129.xxx. (3300, License key: ask H. Heer)
AFS Installation: NT/2000 / XP , Update clients: AFS for XP
WinSCP: Secure-FTP-Client for XP (3300)
SFTP : Java-client. SFTP-Start
LATEX(Miktex)/Editor(TeXnicCenter) (3300)
Please forward Suggestions/Comments with
subject "WWW-Diffraction-Homepage (PC-Programs)" to: Jürg Schefer
Last revision : Nov 3, 2010