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Crystalmaker cry file7/31/2023 ![]() The Show Asymmetric Unit command has been added to the window toolbar's Range popup menu.Īn issue with the Leap Motion controller software and Windows XP has now been resolved.ģD Printing Support. Whilst both methods are equally valid, the new scheme ensures that the bent lattice is centred with respect to the starting conditions. The Selection > Bend command now uses the horizontal plot centre as its reference point, rather than the three-dimensional centre-of-gravity. This version includes a minor enhancement to the Bend command and the addition of a command to the toolbar Range menu. In this release we have streamlined the syntax checking for symmetry, relegating the warnings for non-standard spacegroup symbols to the Log - provided that the same input file contains a valid list of general equivalent positions (required, as part of the CIF file format, but occasionally ignored by third parties).ĬrystalMaker also now correctly handles the import of B iso values, which are converted to the more-generally-used U iso format, during thte import process. Improved the Relax Molecule command, with more sophisticated four-body potentials.Īn extremely-rare issue with reading CIF files which contain nested single quotes on the last line of the file, has been resolved. The Relax Molecule and Add Hydrogens commands are now enabled for the Demonstration version. This version includes a minor enhancement to the Relax Molecule command and a fix for reading certain CIF files. Note: You should use a floating-point number, not an integer - otherwise the file might be interpreted as a STRUPLO-format file and your "properties" will be ignored. This then allows you to display this value as an atom label. Instead of entering a site label as a character string (e.g., "T1"), you can enter a floating-point number (e.g., "0.1234"). ![]() The CrystalMaker Text format (CMTX) now allows you to load floating-point "properties" for each crystal site or atom. This feature should be useful to electron microscopists, who have to work with structure projections in two dimensions. This complements the displayed distance (in three-dimensions of the plot) which is also printed in the Log. The Bond Distance tool now prints the projected distance (in the plane of the screen) in the Log. The Crystal Editor now inherits unconventional spacegroup settings from the Spacegroup Browser correctly.įixed a possible crash when reading from a LAMMPS file with long atom label strings. ![]() The Synchronize command now correctly respects the plot range for crystal structures. ![]() The Relax Molecule command now displays an error if there are hidden atoms.įixed an issue with the Synchronize command due to incorrect site matching - sites are now matched correctly. This is now automatically corrected when reading the files into the program. Some older files were saved with their view directions inverted. Updated View Direction when loading a CrystalMaker binary file. Instead, vectors are plotted as defined by the input data, even if this means that some (extra-short) vectors will be hidden inside their host atom. ![]() When reading atom vector data ("AVEC" card) from a CrystalMaker text file, CrystalMaker no longer enforces a minimum vector length of 1.5 Å. Updated User's Guide, including notes on file synchronization and Apple's recent withdrawal of support for QuickTime for Windows. This version includes updated documentation, more-flexible import of atom vector data, plus bug fixes for the Synchronize command, the Crystal Editor and LAMMPS file import. Sorting has been made smarter in this version, taking account of numerical suffices so that numbered views are sorted in a more human-readable manner (e.g., "10" appears after "2" and not before). This used a straightforward string comparison (e.g., "alpha" comes before "zulu"). Earlier versions of CrystalMaker allowed sorting of views in ascending or descending order, using the view labels. This allows up to 1-million unique atom IDs (from 0 to 999,999). In this version, CrystalMaker detects possible label overflow and will either truncate the symbol (prefix) to one character, or omit it entirely. Unfortunately, CrystalMaker's 6-character label limit can mean that labels end up being truncated - especially if they have a two-character element symbol as the prefix. In order to track atoms within these massive datasets, the atom label is required. Some users are working with massive structures, output as "dump" files from the LAMMPS program. ![]()
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