Mercury CSD 2.4

Cliquer pour agrandir

Prix de détail:	$49.99
Notre prix:	$19.90
Compatibilité:	PC / WINDOWS
Fabricant :	Other

Description Plus d'images Avis (0)Produits apparentés

“Mercury” – Crystal Structure Visualisation, Exploration and Analysis Made Easy. Mercury offers a comprehensive range of tools for structure visualisation, the exploration of crystal packing and statistical analysis of ConQuest geometric searches.

Licenced Mercury features include:

options for displaying multiple structures simultaneously and performing least-squares overlay of pairs of structures
the ability to manually edit structures, or to automatically assign bond-types, standardise bond-types to CSD conventions and to add missing hydrogen atoms
the ability to calculate graph sets
the ability to view structures in stereo assuming the correct hardware is available (not Mac OS X)
an interface to MOPAC (2007 and newer) which allows users to perform a limited number of molecule-based gas phase calculations
Calculation of inter-molecular potentials using Gavezotti’s UNI atom pair potentials
Gasteiger charge calculation
display of space-group symmetry elements
calculation and display of voids (free space in crystal structures) based either on contact surface or solvent accessible surface
links to libraries of of intra and inter-molecular geometry (Mogul and IsoStar)
statistical analysis tools that can be used to:
analyse the results of ConQuest substructure searches where geometric parameters (e.g. bond lengths, angles, torsions etc) have been defined in the query.
explore data interactively using a spreadsheet linked to Mercury’s 3D view
plot data e.g. as histograms and scatter plots
calculate descriptive statistics, correlation matrices and hypothesis (significance) tests
a Materials module which includes functionality for:
identifying interaction motifs that occur between particular functional groups, and their relative abundance
finding similar packing arrangements to the loaded crystal structure
calculating crystal packing similarity between structures containing the same compound

Support Windows 2000/XP/Vista/7

Écrire un avis

Votre nom :

Votre avis : N.B. : Le HTML n'est pas pris en charge !

Évaluation : Mauvais Bon

Saisir le code ci-dessous :

Continuer

Il n'y a aucune image supplémentaire pour ce produit.

DocRepair 3.1 PC $79.99 $29.90	UltraEdit 32 Professional 13.2 PC $49.99 $19.90	Thegrideon Access Password 1.9 PC $59.99 $29.90	OfficePopup 2.4 PC $49.99 $19.90
NotePad Pro 3.6 PC $89.99 $49.90	Notepad Pro 3.2 PC $89.99 $49.90	MetaProducts Offline Explorer Pro 4.8 PC $59.99 $29.90	VeryPDF PDF Stamper 2.3 PC $59.99 $29.90
VeryPDF PDF2Word 3.0 Portable PC $49.99 $19.90	VeryPDF PDF2Word 3.0 PC $49.99 $19.90	VeryPDF PDF2TXT 3.2 Portable PC $49.99 $19.90	VeryPDF PDF2TXT 3.2 PC $59.99 $29.90
Verypdf Pdf2Image Converter 2.1 Portable PC $79.99 $39.90	Verypdf Pdf2Image Converter 2.1 PC $69.99 $29.90	VeryPDF PCL Converter 2.0 PC $129.99 $69.90	VeryPDF Document Converter docPrint Pro 3.3 PC $79.99 $39.90
VeryDOC PowerPoint Converter 2.0 PC $79.99 $39.90	Pixtra OmniStitcher 1.5 Portable PC $69.99 $29.90	PDF Password Cracker Professional 3.2 PC $39.99 $19.90	PDF Password Cracker Enterprise 3.2 PC $49.99 $19.90