Paul,

Yes, it appears that the upper level group is "NON-POLYMER". However, there
is an alias at the bottom that does state polymer.

Best,

Nick Clark


On Fri, May 26, 2023 at 10:37 PM Paul Emsley <pems...@mrc-lmb.cam.ac.uk>
wrote:

>
> On 27/05/2023 03:23, Nicholas Clark wrote:
>
> Hey Paul,
>
> I found the dictionary entry for CSO, it appears to be in the "peptide"
> group (under CCP4-8.0->lib->data->monomers->c->CSO.cif):
>
> "loop_
> _chem_comp_alias.comp_id
> _chem_comp_alias.group
> _chem_comp_alias.atom_id
> _chem_comp_alias.atom_id_standard
> CSO *peptide* HN2 H2"
>
>  I've attached the file I have for your reference, as I may not be looking
> in the correct place. Also, if I'm looking in the wrong file location,
> please let me know.
>
>
> Due to other priorities, Coot is not up to speed with the developments of
> my colleagues:
>
> https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10167671/
> <https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.ncbi.nlm.nih.gov%2Fpmc%2Farticles%2FPMC10167671%2F&data=05%7C01%7Cndclark2%40g-mail.buffalo.edu%7C1c2231bcf96a46de05d008db5e5b425c%7C96464a8af8ed40b199e25f6b50a20250%7C0%7C0%7C638207518308847137%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=YnWTARiMSbo8MRMK8ScjTOuVlwN4MQ6GXFag6iRdnxI%3D&reserved=0>
> (Section 2)
>
> What is the value of _chem_comp.group ? That is (for the moment) what Coot
> cares about.
>
>
> Paul.
>
>

-- 
Nicholas D. Clark (He/Him)
PhD Candidate
Malkowski Lab
University at Buffalo
Department of Structural Biology
Jacob's School of Medicine & Biomedical Sciences
955 Main Street, RM 5130
Buffalo, NY 14203

Cell: 716-830-1908

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