LABEL_ASYM_ID vs AUTH_ASYM_ID

[JavierSanchez-Utges]

I see that 3Dmol uses the auth_asym_id file, right?

atom.chain = mmCIF._atom_site_auth_asym_id
        ? mmCIF._atom_site_auth_asym_id[i]
        : mmCIF._atom_site_label_asym_id
        ? mmCIF._atom_site_label_asym_id[i]
        : undefined;

Is there a way to select which asym_id we would like 3Dmol to parse? If not, I think it would be a really good feature to add. Use the auth by default, but have the option to use label. This might be particularly useful for large assemblies with many chains.

Thanks!

[dkoes]

What about having an auth_chain and label_chain property so that chain always has the same meaning, but you can select differently if you want?

[JavierSanchez-Utges]

That sounds good too. This would be on top of the already implemented chain, right?

[dkoes]

Yes. Do you by any chance have an example structure where these fields are both set and different?

[JavierSanchez-Utges]

Yes, sorry. Usually they are the same, but here is a good one: 7s0f.

I think these others too. I have picked ones with multi-character chain IDs to make it extra fun!

['1vy4', '4u3n', '4v5k', '4v68', '4v6b', '4v6f', '4v7n', '4v83', '4v8i', '4v8r',
'4v8s', '4v90', '4wro', '4wu1', '4xej', '4ym7', '4yuu', '5aj0', '5d8b', '5dc3',
'5exc', '5fki', '5hcq', '5iv5', '5j5b', '5jup', '5lzt', '5ngm', '5o09', '5v8i',
'5xth', '5xti', '5zf0', '5zlu', '6ekc', '6hhq', '6hiv', '6hix', '6jeo', '6kmw',
'6kmx', '6lqu', '6nta', '6nuo', '6oli', '6q9e', '6s5v', '6syo', '6tcl', '6tsd',
'6vgs', '6wet', '6ws5', '6x89', '6y57', '6y66', '6yny', '6ynz', '6z14', '6zk7',
'7abg', '7asd', '7b4p', '7coy', '7dr2', '7ena', '7ezx', '7fix', '7n2v', '7nql',
'7nsi', '7nsj', '7nz2', '7o0v', '7o0w', '7od0', '7on0', '7p1p', '7pbw', '7q0p',
'7q0r', '7qiz', '7qns', '7qup', '7rq8', '7rqc', '7rro', '7ung', '7vd5', '7wfe',
'7wg5', '7y7a', '7z4o', '7zqd', '8apd', '8apf', '8bqs', '8e73', '8fc2', '8fc4']