I'm looking for the program which could generate Schlegel projection for the given crystal structure fragment/carcass/cage/cluster formation, ideally straight from CIF-file. So far the only solution I discovered was TOPOS.
Thanks for the tip on fullprof, but could you please specify which program from the suit is responsible for plotting the Schlegel diagram?
Mr. Seliverstov, with the program Diamond. It is available on:
http://crystalimpact.com/diamond/Default.htm
Could you please clarify where this function has been implemented in Diamond?
As far as I know Diamond allows to switch to the central projection mode, which under certain conditions provides a picture which might look like Schlegel diagram, but unfortunately it is not the one.
Mr. Seliverstov, this can be checked from the available algorithms in the Diamond. Otherwise you can create the program imput for drawing of the base of the published Schlegel algorIithm. Has available on the RG-sites. Author B. Plestenjak.
I honestly have no clue what 'available algorithms' could mean. Diamond is a proprietary software and, to the best of my knowledge, does not support extensions or plugins. The theoretical approach in the paper looks nice, but I'm looking for the ready-to-use solution, ideally some kind of script to perform a batch conversion of multiple structures at once.
Mrs. Ivanova, would it be possible for you to show the example of Schlegel diagram created with Diamond? Probably I'm missing a point.
Diamond has available a trial version Mr. Seliverstov. All options are available in it. It can be downloaded from the shown web-site.
I do have a full version of Diamond licensed through university. And I am using it for more than 5 years. I just don't know how to make Diamond to plot the actual Schlegel projection. If you could provide step-by-step instruction, or at least an example of the work done in Diamond on crafting Schlegel diagrams it would be nice.
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