The program CRYSTALS [Betteridge, Carruthers, Cooper, Prout & Watkin (2003). J. Appl. Cryst. 36, 1487] has been extended to include an option for the refinement of a continuous electron density distribution lying along a line, a ring or on the surface of a sphere. These additional non-atomic electron distributions can be refined in any combination with traditional anisotropically distributed spherical atoms, including the refinement of `partial' atoms overlapping with the special electron distributions
The DEMON/ANGEL suite of computer programs has been developed to carry out density modification by n...
X-rays are diffracted by the electron density of crystals. Thus, the correct analysis of a single cr...
Features of soft self-assembled materials such as liquid crystals and block copolymers. Approaches t...
The program CRYSTALS [Betteridge, Carruthers, Cooper, Prout & Watkin (2003). J. Appl. Cryst. 36,...
SummaryRecurring groups of atoms in molecules are surrounded by specific canonical distributions of ...
Because they scatter X-rays weakly, H atoms are often abused or neglected during structure refinemen...
Recurring groups of atoms in molecules are surrounded by specific canonical distributions of electro...
The expected electron density for an atomic model is calculated directly from the coordinates in a r...
The proposed technique for phase improvement is based on the refinement of a so-called mixed electro...
The expected electron density for an atomic model is calculated directly from the coordinates in a r...
Refinement is a critical step in the determination of a model which explains the crystallographic ob...
X-ray structural analysis might be regarded as a method of visualizing molecules as they appear in t...
Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probab...
wARP is a procedure that substantially improves crystallographic phases (and subsequently electron-d...
CRYSTAL is a general-purpose program for the study of crystalline solids, and the first which has be...
The DEMON/ANGEL suite of computer programs has been developed to carry out density modification by n...
X-rays are diffracted by the electron density of crystals. Thus, the correct analysis of a single cr...
Features of soft self-assembled materials such as liquid crystals and block copolymers. Approaches t...
The program CRYSTALS [Betteridge, Carruthers, Cooper, Prout & Watkin (2003). J. Appl. Cryst. 36,...
SummaryRecurring groups of atoms in molecules are surrounded by specific canonical distributions of ...
Because they scatter X-rays weakly, H atoms are often abused or neglected during structure refinemen...
Recurring groups of atoms in molecules are surrounded by specific canonical distributions of electro...
The expected electron density for an atomic model is calculated directly from the coordinates in a r...
The proposed technique for phase improvement is based on the refinement of a so-called mixed electro...
The expected electron density for an atomic model is calculated directly from the coordinates in a r...
Refinement is a critical step in the determination of a model which explains the crystallographic ob...
X-ray structural analysis might be regarded as a method of visualizing molecules as they appear in t...
Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probab...
wARP is a procedure that substantially improves crystallographic phases (and subsequently electron-d...
CRYSTAL is a general-purpose program for the study of crystalline solids, and the first which has be...
The DEMON/ANGEL suite of computer programs has been developed to carry out density modification by n...
X-rays are diffracted by the electron density of crystals. Thus, the correct analysis of a single cr...
Features of soft self-assembled materials such as liquid crystals and block copolymers. Approaches t...