Reading in CIFs is not sufficiently robust
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I am using the Crystal Creator element, and unfortunately reading in CIFs is not particularly robust. I have attached 4 CIFs here. It can read in 1.cif but not 2.cif, 3.cif, or 4.cif despite all being valid CIFs. The CIF format is very flexible, but SAMSON should be able to support all valid CIF formats. The Atomic Simulation Environment, VESTA, and several other tools read these CIFs in without an issue. Please note I have renamed them as .py to allow uploading.
1.py
2.py
3.py
4.py -
Thanks, @Andrew-1 for reporting this! We will check.
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Dear @Andrew-1 ,
Thank you again for reporting the issue. We have fixed the CIF importer in the Crystal Creator Element, it should automatically update for you once you launch SAMSON. -
Thanks @DmitriyMarin! I can confirm the bug has been fixed! As a follow-up question: is there a way to export CIFs from SAMSON? More specifically, I read in a CIF, made some modifications, and am hoping to save it as a new CIF.
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Dear @Andrew-Rosen ,
As for now, it is not possible to save in the CIF format in SAMSON. But, it is in our plans to implement a CIF exporter. -
@DmitriyMarin:
Thanks for the information. I look forward to such a feature in the future such that CIFs can be edited using SAMSON's nice user interface. -
@Andrew-Rosen ,
If you have any other feature requests or suggestions, please, do not hesitate to contact us via this Forum (SAMSON > Feature requests), e-mail, or the Feedback form within SAMSON.
