The DEMON/ANGEL suite of computer programs has been developed to carry out density modification by non-crystallographic symmetry-averaging, solvent-flattening and histogram-mapping techniques. This suite consists of programs that allow molecular envelopes to be defined and modified, non-crystallographic symmetry operators to be refined either within one crystal form or between several crystal forms, and iterative density modification to be carried out, including non-crystallographic symmetry averaging of electron densities within or between crystal forms.</p
Recurring groups of atoms in molecules are surrounded by specific canonical distributions of electro...
X-rays are diffracted by the electron density of crystals. Thus, the correct analysis of a single cr...
The density functional code deMon2k employs a fitted density throughout (Auxiliary Density Functiona...
The DEMON/ANGEL suite of computer programs has been developed to carry out density modification by n...
The program CRYSTALS [Betteridge, Carruthers, Cooper, Prout & Watkin (2003). J. Appl. Cryst. 36,...
Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probab...
Structure determination of macromolecules often depends on phase improvement and phase extension by ...
This report describes a computer program which performs an analysis of molecular packing in crystals...
CRYSTAL is a general-purpose program for the study of crystalline solids, and the first which has be...
This is the published version, made available with the permission of the publisher.A brief descripti...
The proposed technique for phase improvement is based on the refinement of a so-called mixed electro...
SummaryRecurring groups of atoms in molecules are surrounded by specific canonical distributions of ...
X-ray crystallography is a technique for determining the structure (positions of atoms in space) of ...
New version of program DAMQT for the analysis of molecular electron density and related properties, ...
It has been recently established that the accuracy of structural parameters from X-ray refinement of...
Recurring groups of atoms in molecules are surrounded by specific canonical distributions of electro...
X-rays are diffracted by the electron density of crystals. Thus, the correct analysis of a single cr...
The density functional code deMon2k employs a fitted density throughout (Auxiliary Density Functiona...
The DEMON/ANGEL suite of computer programs has been developed to carry out density modification by n...
The program CRYSTALS [Betteridge, Carruthers, Cooper, Prout & Watkin (2003). J. Appl. Cryst. 36,...
Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probab...
Structure determination of macromolecules often depends on phase improvement and phase extension by ...
This report describes a computer program which performs an analysis of molecular packing in crystals...
CRYSTAL is a general-purpose program for the study of crystalline solids, and the first which has be...
This is the published version, made available with the permission of the publisher.A brief descripti...
The proposed technique for phase improvement is based on the refinement of a so-called mixed electro...
SummaryRecurring groups of atoms in molecules are surrounded by specific canonical distributions of ...
X-ray crystallography is a technique for determining the structure (positions of atoms in space) of ...
New version of program DAMQT for the analysis of molecular electron density and related properties, ...
It has been recently established that the accuracy of structural parameters from X-ray refinement of...
Recurring groups of atoms in molecules are surrounded by specific canonical distributions of electro...
X-rays are diffracted by the electron density of crystals. Thus, the correct analysis of a single cr...
The density functional code deMon2k employs a fitted density throughout (Auxiliary Density Functiona...