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Neutron Diffraction Group - Paul Scherrer Institute
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Updated:
03.11.2010
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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
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