![]() ![]() Obviously the rotation axes will run through this center. You can use the ⬭ button to set the target to the geometrical center of the selected atoms. Specify the center around which will be rotated. Next specify the direction of the axes around which will be rotated. This option will rotate atoms around some axes, around some point with a specified angle. (use a target at 0 0 0, and be sure not to move the atoms as a group). Note: as the step is a fraction of the distance of the atoms to the target this option can also be used to scale all coordinates The atoms will be translated in the direction of the target, with the specified step. Next you need to set the step as a fraction of the distance to the target, the default is 0.01. Otherwise, each atom moves towards the specified point. If you check the “As a group” option, all atoms move in the same direction (from the center of the atoms towards the specified point). You can use the ⬭ button to set the target to the geometrical center of the selected atoms.Ģ. ![]() This option will translate atoms towards a specified point (target).įirst specify a target, this is a point in x, y, z coordinates. The atoms will be translated in the specified direction, with the specified step size.Īfter the first click you may use the space bar to repeat the action. This step is in the direction specified (the direction vector will be normalized).Ĭlick the left ◀ or right ▶ arrow to translate the atoms. Next you need to set the step size, the default is 0.1 Angstrom. Perpendicular to the plane of three selected atoms. You can use the ⬭ button to set this vector using the currently selected atoms:įrom the first selected atom towards the second selected atom, This option will translate atoms in a specified direction.įirst specify a direction, this is a vector in x, y, z coordinates. That allows you to change the selected atoms (for example to set other options) without having to re-select the atoms to move.Ĭlick the button that lists the atoms (or shows the text ‘Selected Atoms’) to show which atoms have been set (they will be selected). To do that, use the ⬭ button: it will set the atoms to be moved to the currently selected atoms. Often it is convenient to fix the set of atoms that will be adjusted. If you do not use this option, the selected atoms will be adjusted. To tune the geometry of your system some atoms will have to be moved. The ⬭ button will use the currently selected atoms to set the details in front of the button. Typically you will have to set up some details first, like which atoms to move, or in which direction. Orient part of your system, for example an adsorbate Precisely translate or rotate part of your system The Edit → Tune Geometry… menu command gives you a panel with some options to fine-tune the geometry of your system. The will be accepted as long as it is accurate up to $10^$ relative or absolute precision.Tuning Geometry: translation, rotation, position with respect to plane ¶ The two coordinates must be separated by a single space. These points must be in the same order as the ones given in the input. \(n\) lines, each giving the two coordinates of one of the points of the rotated object.\(n\) lines with two integers \(x_i\) and \(y_i\) giving the coordinates of the object vertices.One line with two integers \(c_x\) and \(c_y\) giving the coordinates of the center of rotation.One line with an integer \(\theta\) giving the counter-clockwise angle for the rotation (in degrees).One line with an integer \(n\) giving the number of vertices of the object.As an exercise, compute the result of rotating an object by a certain angle \(\theta\) around a center \(c\). ![]()
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