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/ (Section 2)

What is the value of _chem_comp.group ? That is (for the moment) what Coot cares about.


Paul.


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