- Free Softwares Develoed by Collaborative Computational Project Number 14 for Single Crystal and Powder Diffraction (CCP14)
-
the lists of available softwares are as following.
1. Single Crystal Diffraction Software: Complete Single Crystal Software Suites including validation options; WinGX Single Crystal Suite for Windows; CRYSTALS for Windows; ORTEX for Windows; Platon/System S for UNIX; GSAS for UNIX and Windows; Single Crystal Structure Solution; Single Crystal Structure Refinement; Single Crystal Twinning; 2D to 3D Model Building and Molecular Modelling; CCD Control and CCD Processing; Face Indexing Absorption Correction and Viewing of Crystals; Structure Conversion and Transformation; Structure Drawing and Visualisation; Incommensurate/Modulated Structure solution and refinement; Anharmonic Thermal Refinement; Bond Length and Bond Angle Calculation; Bond Valence Calculations.
2. Powder Diffraction Software: Structure Solution from Powder Diffraction; Some pathways for Structure Solution from Powder Diffraction; Search-Match phase Identification; Powder Diffraction Data Conversion / Interconversion; Powder Diffraction Data Visualisation; Peak finding and Peak Profiling; Powder Indexing (finding a unit cell from powder data); Unit Cell Refinement; Le Bail Whole Profile Fitting; Pawley Whole Profile Fitting; Rietveld Refinement; Restrained Rietveld Structure Refinement of Organics; View Fourier Maps from Rietveld Refined Data; Structure Conversion and Transformation; Structure Drawing and Visualisation; Modelling of Amorphous Materials; Incommensurate/Modulated Structure solution and refinement; Anharmonic Thermal Refinement; Bond Length and Bond Angle Calculation; Bond Valence Calculations; Pole Figure and Texture Analysis Software; Polyhedral Volume Calculations; High Q Powder Diffraction Analysis for PDF/Local Order Determination; TOF (Time of Flight) Neutron Diffraction; Variable Count Time (VCT) Data Collection for Powder Diffraction; Integration of Image Plate Data.
Prev: GAMESS: The General Atomic and Molecular Electronic Structure System
Next: EGO - A Program for Parallel Molecular Dynamics Simulation of Proteins - 【Back】【Close 】【Print】【Add to favorite 】
-
Health and Chemical more >
-
Hot Products
- 38870-89-2 Acetyl chloride,2-methoxy-
- 67-51-6 3,5-Dimethylpyrazole
- 6920-22-5 DL-1,2-Hexanediol
- 500-66-3 Olivetol
- 7446-09-5 Sulfur dioxide
- 68424-45-3 LINOLENIC ACID
- 63243-48-1 2,6-Octadien-4-yne, 2,3,6,7-tetramethyl-
- 135726-29-3 Hematrin
- 81-25-4 Cholic acid
- 655-42-5 N-BENZOYL-D-GLUCOSAMINE
- 123-99-9 Azelaic acid
- 36557-22-9 Metomidate hydrochloride


