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support for YASARA PETWORLD Cif files.#633

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support for YASARA PETWORLD Cif files.#633
corredD wants to merge 1 commit into
biotite-dev:mainfrom
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@corredD

@corredD corredD commented Aug 8, 2024

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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.

@padix-key

padix-key commented Aug 9, 2024

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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.

@padix-key

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@corredD If you do not have objections, I would simply apply my suggestions and merge this PR

@corredD

corredD commented Jan 18, 2025

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Sounds good to me @padix-key.

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3 participants