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support for YASARA PETWORLD Cif files. #633

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corredD
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@corredD corredD commented Aug 8, 2024

Yasara Petworld model are written in a custom cif file, that put space in front of the catergories name.
download models from http://download.yasara.org/petworld/index.html

@BradyAJohnston
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@padix-key this is one of those examples of biotite being overly stringent when parsing that I mentioned in person last week.

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padix-key commented Aug 9, 2024

Thanks for the fix. I checked the CIF specification again (bottom of the document) and it seems that leading whitespaces in category names are not allowed.

DataItems ::= Tag WhiteSpace Value

However, in this case the additional strip() does increase file reading time only by approx. 3%. Hence, it would be reasonable in my opinion to support this CIF dialect.

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3 participants