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Software

A

3DNA
Structure Analisys software for analyzing and rebuilding 3-dimensional nucleic acid structures
ARP/wARP
Software suite for improvement and objective interpretation of crystallographic electron density maps and automatic construction and refinement of macromolecular models
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B

BUSTER
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C

CCP4
Program suite for Protein Crystallography
CCP13
Modelling/analysis of fibre diffraction and solution scattering
Chooch
Determine f' and f'' from fluorescence scans (Linux, SGI)
CNS
Flexible, multi-level, hierarchical program for the most commonly used algorithms in macromolecular structure determination
C-PLOT
SPEC's plotting program
User's manual (HTML)
User's manual (PDF)
Command Reference (PDF)
Format Reference (PDF)
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D

DataViewer
Program for GSECARS (Advanced Photon Source) Microprobe, XRF MAPS, and XAFS data d*TREK
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E

EMBL
SAXS processing and modelling - protein oriented
EPICS IOC Software
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F

FitIt
FitIt is a program for local structure refinement on the basis of X-ray absorption near edge structure fitting
Fit2D
X-ray image processing and data extraction software
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G

GIMP
Graphics manipulation program
Manual (PDF)
Manual (HTML)
Color Section of Manual (PDF)
Color Section of Manual (HTML)
GNU Octave
2.0 - High level language for numerical computations
User's manual
Gnuplot
Command-line driven plotting program
Introduction to gnuplot (HTML)
User's manual (HTML)
User's manual (PDF)
Grace
Menu-driven plotting program
User's manual (HTML)
Tutorial (HTML)
GSAS
Structural modelling with single crystal and powder diffraction data
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H

HKL2000 - DENZO / SCALEPACK
A suite of programs for the analysis of X-ray diffraction data (XDisp/Denzo/Scalepack)
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I

Irena
SAXS processing and modelling
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L

LaTeX
Technical writing system
LaTeX 2e Documentation (PDF)
Advanced reference
Essential LaTeX (PDF)
Quick reference for beginners
The Not Too Short Introduction to LaTeX 2e (PDF)
Tutorial for beginners
LaTeX Symbols (PDF)
Symbol reference
LaueView
Laue display and data processing package (SGI)
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M

MAIN
Program thet deals with computational parts of macromolecular crystallography in a progressively automated manner
DPS/Mosflm
Analysis of X-ray diffraction data (SGI)
MSI
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N

NIST SANS
SAXS/SANS data modelling
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O

O
General purpose macromolecular modeling environment
O
(PCP)
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P

PHASES
PREDICT
Optimize data collection strategy (SGI)
PYTHON Library
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R

RESOLVE
Improves electron density maps for Solve (Linux, SGI)
Rietica
Structural modelling with powder diffraction data.
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S

SAXS15id
SAXS data processing and analysis package
SHADOW
SHARP
SHELX
Set of programs for crystal structure determination from single-crystal diffraction data
SOLVE
Automated crystallographic structure solution for MIR, SAD, and MAD
SPEC
Command line interface to beamline equipment
User's manual (HTML)
User's manual (PDF)
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X

XAFS (X-ray Absorption Fine-Structure Spectroscopy)
IFEFFIT
Interactive XAFS Data Analysis SOftware
XAFS Information
Tutorials, Workshops, Links
XAFS Data Library
Archive of XAFS data on Model Compounds
MCBOOK
The McMaster Tables
Atoms.inp Archive
Archive of crystallographic data for ATOMS and FEFF
XOP
X-ray oriented programs
X-PLOR
XtalView
Software package for fitting electron density maps and solving structures by MIR and MAD (SGI)
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Y

Yorick
Interpreted scientific programming language
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