Add chemical component names to groupList entries?

[arose]

specifically _chem_comp.name from the mmcif dictionary

[pwrose]

I think these names are important since 3D viewer applications, etc. need to be able to display those names, esp. for ligands.

[abradle]

After discussion the consensus was:

1. Naming data can be found from the entity information
2. Addition of this data would be a bit to feature creepy

So let's not add it in and I'm gonna close this for the time being.

[arose]

I think we should add it as we have a names for entities, chains, atoms. Come to think of it, model names would be good too (and might be part of an upcoming cif extension in some form I guess). I don't see adding the group name as feature creep as it is consistent with the data we provide on other levels.

I agree that for standard amino acids the three letter code is probably okay but what about modified residues?

Note that non-polymeric molecules/ligands are not relevant here as they are described in the entityList.

[BobHanson]

OK, chiming in -- Sounds like there is good support for having those names. I appreciate that, as Jmol does a lot with those -- displays them upon file load and adds them to the popup menu, for example. The most important for me are the nonstandard aa.

Yes, some are in the entityList, but that is only for ones that are individual. Other entities, for example small polysaccharides, are only listed in entityList as "SUGAR (3-MER)" for example. 1cdr. And it is quite a chore to match up the entity name with the group itself.

[arose]

reopening for further discussion as it has come up multiple times