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Releases: odf/gavrog

Systre update 20.8.0: experimental support for some non-crystallographic nets

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Experimental support is added for non-crystallographic periodic nets that are obtained from multiple identical copies ("layers") of an underlying crystallographic net by adding or flipping edges so that the result is connected. Such a structure is called a “ladder” net because the 1-periodic net shaped like an ordinary (infinite) ladder is a particularly simple example.

The new version of Systre supports ladder nets in which the symmetries relating layers are compatible with a particular maximal periodic structure for the net (which in the case of non-crystallographic nets is not unique). These include all ladders with no more than two layers.

Note: this is a small experimental update to Systre-19.6.0. RCSR data remains as of June 1, 2019.

Systre update: Version 19.6.0 with RCSR data archive as of June 1, 2019

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Systre-19.6.0

update Systre version and copyright notices

Gavrog Version 0.6.0 (second beta)

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Pre-release

IMPORTANT: Unfortunately, 3dt only works with a 32-bit Java at this time. It is unlikely that I will be able to provide a version for 64-bit Java in the foreseeable future. If you have more than one Java installation on your computer, make sure to run the installer with the one you want to run the programs with, i.e. in particular a 32-bit Java if you plan to use 3dt. (Systre works with both 32- and 64-bit Java versions.)

This is the second beta test release for Gavrog version 0.6.0. It includes the following bug fixes and modifications relative to the first beta release:

  • When Systre finds a different space group setting from the one given in the input, this is now reported as "Ideal group or setting differs from given".
  • The "Importance of equal edge lengths" setting is now only used when node position relaxation is enabled.
  • When no embedding was computed, saving to a .cgd file now falls back to writing the net topology in the format normally used with .pgr files instead of producing an error message.
  • Saving with the "All Files" filter active in the file selection dialogue no longer fails silently. Instead, a .cgd file is produced.
  • When writing the Systre log to an .out file, the last entry is no longer duplicated.
  • 3dt no longer reports an error when a 2d net in Systre format is read.

Please report any problems with the software at the issue tracker https://github.com/odf/gavrog/issues, at my blog http://systre.wordpress.com/, or email me.

Gavrog 0.6.0 is the first new official version of the Gavrog software, including the programs 3dt and Systre, in almost five years. It updates Systre from version 1.1.5 to 1.2.0 and 3dt from 0.4.1 to 0.6.0.

Here are the most notable changes for Systre:

  • where possible, the order of vertices is preserved in the output
  • user-specified vertex coordinates can be used as the basis for new embeddings
  • there is a new option for displaying Wells point symbols
  • TD10 values are rounded to the nearest integer
  • the current configuration can be saved and is then read back the next time Systre runs
  • user-defined archive files in a special .systre directory are read automatically
  • the built-in zeolite archive has been removed; only RCSR structures are recognized by default
  • the RCSR archive is current as of May 22, 2013
  • Systre can use most 3dt files as input
  • better warning and error messages
  • plenty of bug fixes

and for 3dt:

  • there are three lights, whose settings can be manipulated by the user
  • 3dt can recognize tilings which are based on RCSR nets
  • tilings geometry can be exported in Wavefront/OBJ and U3D formats
  • primitive unit cells can optionally be used instead of conventional crystallographic unit cells
  • 3dt can load .tgs files from Daniel Huson's 2dtiler
  • coordinates are preserved for face-list inputs
  • there is a user option for always converting tilings to their most symmetric forms
  • scene rotation via keyboard uses Shift-Left/Right instead of Ctrl-Left/Right to avoid problems for Apple users
  • scenes can be saved quickly via Ctrl-S
  • all 3d tilings from the RCSR website are included in the distribution under Data/rcsr-3dt.cgd

Gavrog Version 0.6.0 (beta)

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This is the first new official release of the Gavrog software, including the programs 3dt and Systre, in almost five years. It updates Systre from version 1.1.5 to 1.2.0 and 3dt from 0.4.1 to 0.6.0.

Here are the most notable changes for Systre:

  • where possible, the order of vertices is preserved in the output
  • user-specified vertex coordinates can be used as the basis for new embeddings
  • there is a new option for displaying Wells point symbols
  • TD10 values are rounded to the nearest integer
  • the current configuration can be saved and is then read back the next time Systre runs
  • user-defined archive files in a special .systre directory are read automatically
  • the built-in zeolite archive has been removed; only RCSR structures are recognized by default
  • the RCSR archive is current as of May 22, 2013
  • Systre can use most 3dt files as input
  • better warning and error messages
  • plenty of bug fixes

and for 3dt:

  • there are three lights, whose settings can be manipulated by the user
  • 3dt can recognize tilings which are based on RCSR nets
  • tilings geometry can be exported in Wavefront/OBJ and U3D formats
  • primitive unit cells can optionally be used instead of conventional crystallographic unit cells
  • 3dt can load .tgs files from Daniel Huson's 2dtiler
  • coordinates are preserved for face-list inputs
  • there is a user option for always converting tilings to their most symmetric forms
  • scene rotation via keyboard uses Shift-Left/Right instead of Ctrl-Left/Right to avoid problems for Apple users
  • scenes can be saved quickly via Ctrl-S
  • all 3d tilings from the RCSR website are included in the distribution under Data/rcsr-3dt.cgd