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SPring-8 Bioxtal Beamlines (JASRI)
RIKEN Harima Institute
北海道大学 生体高分子解析学講座第２ (田中勲研究室)
SINCRIS software list
DPS : free, No license
The Data Processing Suite (DPS) will be a complete package for processing of single crystal X-ray diffraction data of proteins, viruses, nucleic acids and other large biological complexes. The emphasis is on data collected at synchrotron sources. DPS is a collaboration between ADSC, and Cornell and Purdue universities.
MOSFLM : free, No license
This describes MOSFLM version 6 for processing image plate and CCD data (Progrum download)
HKL2000 : $0 or $1,500 or ...
HKL Research, Inc. provides high quality software and hardware solutions for X-ray crystallography laboratories and synchrotron beam lines. Our products have been used by over 800 groups and laboratories worldwide, including over 70 leading pharmaceutical companies. The software distributed by us is available at 62 synchrotron beam lines.
XDS : free, No license
Daresbury Laboratory Laue Software Suite (LAUEGEN, NEWLAUE, GENLAUE, etc.) : free, No license
CCP4 : free
XtalView : free, No license
XTALVIEW is a package for X-ray crystal structure solution from the point at which data is collected through the fitting of a molecular model into an electron density map. XtalView runs on ordinary workstations and does not require 3-D hardware.
SHELX : free, site license (by e-mail)
SHELX is a set of programs for crystal structure determination from single-crystal diffraction data. SHELXS - Structure solution by Patterson and direct methods
SHELXL - Structure refinement (the version SHELXH is for large structures)
Shake and Bake (SnB) : free, site license (by WWW)
A direct-methods procedure for determining crystal structures.
Solve : $500+$100 x (sites num.), site license (by WWW)
Automated structure solution for MIR and MAD
SHARP : free, Site license (On line)
SHARP is a Statistical Heavy Atom Refinement and Phasing program. It operates on reduced, merged and scaled data from SIR(AS), MIR(AS) and MAD experiments, refines the heavy-atom model, helps detect minor or disordered sites using likelihood-based residual maps, and calculates phase probability distributions for all reflexions in the dataset.
BUSTER : free, Site license (On line)
A program for recovering missing phase information by Bayesian inference.
X-PLOR : $350, each licenses (by e-mail)
CNS : free, one license (by WWW)
TNT : free (?), each licenses (by letters)
ARP/wARP : free, site license (by WWW)
ARP/wARP is used for the refinement of protein structures via automatic updating and re-building of the model and solvent structure.
O : free, each licenses (by e-mail)
Coot : free, No licenses
MI-fit : free, each licenses
Uppsala Software Factory : free, No licenses
TURBO FRODO : unkown, each licenses (by e-mail)
GRASP : $500, site license (by WWW)
MolScript : free, site license (by WWW)
Povscript+ : free, site license (by e-mail)
Raster3D : free, No licenses
RasMol : free, No licenses
VRML : free, No licenses
Flex : free, No licenses
Flex is a simple display program that can show molecules and animation sequences from disk files or from network connections to running programs -- for example, a molecular dynamics simulation. A library of communication routines is included which makes it very simple to add this real-time display ability to any program.
Shape : free, obtain license (by WWW)
Shape is a package for analysis of molecular surfaces. It includes programs for determining whether a point is in a groove or crevice in a surface, and for determining the largest sphere that can fit at a location.
WPD : free, No license
WPDB (the Protein Data Bank through Microsoft Windows) is a PC based software package comprising a compressed version of all or parts of the PDB and a set of tools to query features of a single structure or perform a comparative analysis on multiple structures with emphasis on sequence alignment and structure superposition. WPDB is described in the paper by Shindyalov and Bourne, (1995) J. App. Cryst. 28(6) 847-852.
PDBtool : unknown
PDBtool is a UNIX based tool for browsing the features of a single macromolecular structure supplied in PDB format. PDBtool includes structure verification and limited query capabilities. PDBtool is currently in Beta Test. To be a tester contact Phil Bourne (email@example.com).
DOT : unknown
A software package for examining molecular interactions. DOT is new program for docking macromolecules to other molecules of any size. It runs efficiently on parallel systems ranging from networked workstations to supercomputers.
AMBER : unknown, obtain license (by e-mail)
Protein Structure Initiative (Structural Genomics)
X-ray WWW Server
International Union of Crystallography
Crystallography World Wide (IUCr)
X-ray Anomalous Scattering
Symmetry Equivalent Positions Generator
Periodic Table of Elements
National Nuclear Data Center (BNL)
Physical Reference Data (NIST)
X-ray attenuation length
X-ray transmission of solid
Protein Data Bank (Osaka Univ. Mirror)
Cambridge Crystallographic Data Centre
NCBI (Entrez, PubMed, VAST etc.)
NIST Crystal Data