Here, the element symbols "Si" and "O" have been included, together with two site labels, "T1" and "T2", which have "custom" colours. When composing a CMTX file manually, you can enter either an element symbol (e.g., "Si") or a site label (e.g., "T2i") in the TYPE definition, e.g., TYPE Previously, only the dominant, "element" colour was saved now, any sites whose colours differ from the dominant element colour, are included in the format's "TYPE" card. CrystalMaker now saves the colours of individual sites in its CMTX format. A diagnostic output call - which could cause the program to bog down in certain cases - has been removed.ĬIF files containing anisotropic temperature factors expressed in the (rarely used) B ij format, are now imported correctly.Įxtended CMTX (text) file format. Improved molecular modelling results, with a new three-body potentials files containing revised values. This leaves a single listing each for the axial settings, viz. Clicking a "delay" popover button (such as the Spin toolbar button) now causes the popover to appear after a shorter delay.Įxporting visible- or crystal-coordination output now results in unit cell parameters being added to the output file.įor the sake of clarity, removed the "duplicate" C222 1 space group settings corresponding to, and settings. This provides access to a dedicated keyboard shortcut (cmd-opt-I) as well as a new Adjust Spin command: an alternative way of accessing the Spin popover, for those unfamiliar with the technique of clicking-and-holding the Spin toolbar button. Replaced the former Transform > Spin menu command with a dedicated Spin submenu. This version includes miscellaneous fixes and enhancements. This skips saving a backup step (which can be a long-winded operating), allowing faster operation. It is now possible to rapidly synchronize a multi-structure document by holding down the shift key whilst pressing the toolbar's Sync button. The Calculate > Distance from Plane command now calculates the mean distance and standard deviation these values are printed in the Output Log, after the individual distances.įaster "Speed Sync". This allows the one to define a spiral (instead of circular) section. Redesigned the Bend Selection sheet to include a new Radial Offset field. The Transform > View Direction submenu now includes a command to view perpendicular to the overall selection. New View Along Atoms and Make Atoms Vertical buttons have been added to the Atom Selection Inspector. New View Along Bond and Make Bond Vertical buttons have been added to the Bond Selection Inspector.Ītom Selection. Users can now opt to view the structure along a selected bond, or to make that bond vertical. New commands have been added to view the structure parallel to, or perpendicular to, an existing selection:-īond Selection. Note: you can record "rotation movies" about your structure-specific axes just remember to specify the Custom (From Spin Popover) option when you choose the File > Export Video > Rotation Movie command. Once your structure is spinning, you can manually rotate it without affecting the auto-rotation axis (i.e., your selected bond axis). Next, open the spin popover, choose the "Y" rotation preset and ensure that the Lock Rotation Axis to Screen checkbox is unset. Select the bond, then choose the new Make Bond Vertical command (as described below). You should now be able to manually rotate your structure whilst it continue to spin about your original lattice vector. Finally, click the Start Spinning button. Thirdly, uncheck the Lock Rotation Axis to Screen setting (important, as you want rotation relative to your structure). Secondly, open the Spin popover and click the Z preset. Firstly, choose the Transform > View Direction > Set View Direction command to orient your structure. Once your structure is spinning, you can manually rotate it (e.g., by clicking-and-dragging with the mouse) and still have the structure continue spinning about your chosen cell axis. Click the Cell preset, then click the Start Spinning button. Next, open the Spin popover (e.g., by clicking and holding down the mouse over the toolbar Spin button). Simply rotate your structure so that the desired unit cell axis is approximately vertical (i.e., parallel to the screen Y axis, which runs from bottom-to-top of the screen).
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