Limits...
AMoRe: classical and modern.

Trapani S, Navaza J - Acta Crystallogr. D Biol. Crystallogr. (2007)

Bottom Line: An account is given of the latest developments of the AMoRe package: new rotational search algorithms, exploitation of noncrystallographic symmetry, generation and use of ensemble models and interactive graphical molecular replacement.

View Article: PubMed Central - HTML - PubMed

Affiliation: IBS, Institut de Biologie Structurale Jean-Pierre Ebel, 41 Rue Jules Horowitz, F-38027 Grenoble, CEA, France. stefano.trapani@cbs.cnrs.fr

ABSTRACT
An account is given of the latest developments of the AMoRe package: new rotational search algorithms, exploitation of noncrystallographic symmetry, generation and use of ensemble models and interactive graphical molecular replacement.

Show MeSH
Plot of the β = 137.8° section of the self-rotation function corresponding to the IBDV VP2 subviral particle evaluated by FFT techniques: (a) classical sampling on the primitive oblique cell; (b) metric based sampling on one independent half of the rectangular centred cell (the corresponding primitive oblique cell is outlined for reference). A detail of the two plots is also shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
getmorefigures.php?uid=PMC2394814&req=5

fig1: Plot of the β = 137.8° section of the self-rotation function corresponding to the IBDV VP2 subviral particle evaluated by FFT techniques: (a) classical sampling on the primitive oblique cell; (b) metric based sampling on one independent half of the rectangular centred cell (the corresponding primitive oblique cell is outlined for reference). A detail of the two plots is also shown.

Mentions: The problem can be partially solved in two-dimensional β-­sections, where the rotation metric becomes equivalent to a Euclidean metric (Burdina, 1971 ▶; Lattman, 1972 ▶). The rotation length element ds may be expressed using Euler angles as It follows that in an undistorted Cartesian representation of a β-section the α and γ coordinates must define an oblique two-dimensional unit cell whose sides of length 2π form an angle equal to β (Fig. 1 ▶ a). By means of an appropriate coordinate transformation, a rectangular centred unit cell can be obtained with side lengths (Fig. 1 ▶ b): A uniform sampling on these orthogonal axes will then correspond to a true constant distance Δ between rotations. Notice that the size (area) of a β-section is proportional to sinβ and that the section reduces to a one-dimensional segment if β = 0 or π.


AMoRe: classical and modern.

Trapani S, Navaza J - Acta Crystallogr. D Biol. Crystallogr. (2007)

Plot of the β = 137.8° section of the self-rotation function corresponding to the IBDV VP2 subviral particle evaluated by FFT techniques: (a) classical sampling on the primitive oblique cell; (b) metric based sampling on one independent half of the rectangular centred cell (the corresponding primitive oblique cell is outlined for reference). A detail of the two plots is also shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2394814&req=5

fig1: Plot of the β = 137.8° section of the self-rotation function corresponding to the IBDV VP2 subviral particle evaluated by FFT techniques: (a) classical sampling on the primitive oblique cell; (b) metric based sampling on one independent half of the rectangular centred cell (the corresponding primitive oblique cell is outlined for reference). A detail of the two plots is also shown.
Mentions: The problem can be partially solved in two-dimensional β-­sections, where the rotation metric becomes equivalent to a Euclidean metric (Burdina, 1971 ▶; Lattman, 1972 ▶). The rotation length element ds may be expressed using Euler angles as It follows that in an undistorted Cartesian representation of a β-section the α and γ coordinates must define an oblique two-dimensional unit cell whose sides of length 2π form an angle equal to β (Fig. 1 ▶ a). By means of an appropriate coordinate transformation, a rectangular centred unit cell can be obtained with side lengths (Fig. 1 ▶ b): A uniform sampling on these orthogonal axes will then correspond to a true constant distance Δ between rotations. Notice that the size (area) of a β-section is proportional to sinβ and that the section reduces to a one-dimensional segment if β = 0 or π.

Bottom Line: An account is given of the latest developments of the AMoRe package: new rotational search algorithms, exploitation of noncrystallographic symmetry, generation and use of ensemble models and interactive graphical molecular replacement.

View Article: PubMed Central - HTML - PubMed

Affiliation: IBS, Institut de Biologie Structurale Jean-Pierre Ebel, 41 Rue Jules Horowitz, F-38027 Grenoble, CEA, France. stefano.trapani@cbs.cnrs.fr

ABSTRACT
An account is given of the latest developments of the AMoRe package: new rotational search algorithms, exploitation of noncrystallographic symmetry, generation and use of ensemble models and interactive graphical molecular replacement.

Show MeSH