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DIGITAL CRYSTALMAKER MOVIE

For these reasons, the ZIFs are the largest family of metal-organic frameworks known to date, with more than 100 different topologies synthesized experimentally, and many more predicted from quantum chemistry calculations. ZIFs couple this extremely wide structural variability with the possibility to feature functionalized imidazolate linkers (present in metal-organic frameworks in general). This tetrahedral arrangement is equivalent to the zeolite structures, inorganic porous structures that have wide industrial applications, with more than 200 framework geometries known to date. Zeolitic imidazolate frameworks (ZIFs) are a family of metal–organic frameworks, consisting of imidazolate linkers bridging metal centers with tetrahedral coordination (Zn, Co, Cd, Li, B, …).

CIF files containing anisotropic temperature factors expressed in the (rarely used) Bij format, are now imported correctly.Picture generated with CrystalMaker ( ), from paper here: dx.doi.org/10.1039/c3cp54292k.

A diagnostic output call - which could cause the program to bog down in certain cases - has been removed.

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.

For the sake of clarity, removed the "duplicate" C2221 space group settings corresponding to, and settings.

Exporting visible- or crystal-coordination output now results in unit cell parameters being added to the output file.

Clicking a "delay" popover button (such as the Spin toolbar button) now causes the popover to appear after a shorter delay. 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.

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. 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:.

DIGITAL CRYSTALMAKER MOVIE

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.For the first time, oscillation mode can work about any axis: not just the screen Y axis. Rotation axes can be defined parallel to the screen axes, the nearest unit cell axis-or entirely customized, via the angle fields.This makes it easy to record video with inclined rotation: great for showing a unit cell, or a spinning molecular group around an inclined rotation axis. The new popover includes an option for "unlocked rotation", whereby the rotation axis can be rotated (relative to the screen), such that the user can reposition a spinning cube, say.The "Spin" popover has been completely redesigned, allowing for structure- rather than screen-specific rotation, e.g., rotating about a specific bond or cell axis, and preserving the rotation axis as the structure is manually rotated.