rcsb / mmtf

The specification of the MMTF format for biological structures
http://mmtf.rcsb.org/
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chem_comp_type upper/lowercase? #38

Closed danpf closed 2 years ago

danpf commented 6 years ago

this is silly, but for at least consistency in the spec: should chemCompType always be uppercase? http://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v50.dic/Items/_chem_comp.type.html shows them as lowercase, but mentions they are case insensitive.

However, the rcsb serves them all via uppercase, and all of our examples are in uppercase.

pwrose commented 6 years ago

I think for consistency it would be better to use uppercase. I'm not sure why the chemCompTypes have been converted to uppercase, but most likely to work around uppercase/lowercase inconsistencies in the original .cif files.

On Mon, Nov 12, 2018 at 10:16 PM Daniel Farrell notifications@github.com wrote:

this is silly, but for at least consistency in the spec: should chemCompType always be uppercase?

http://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v50.dic/Items/_chem_comp.type.html shows them as lowercase, but mentions they are case insensitive.

However, the rcsb serves them all via uppercase, and all of our examples are in uppercase.

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danpf commented 5 years ago

thanks! I'll mention this in the spec somewhere!