Hi Natalie,
comp_id needs to be a valid CCD ID, in this case 'GLC'. Not sure why/how
the invalid value 'GLC-b-D' was generated.
Let us know if you need further assistance,
Deborah
On 03/05/2024 22:25, Natalie Losada wrote:
I am validating a structure with two sucrose molecules. I am getting the
following error when uploading the file:
ERROR: In 'data_comp_GLC' block:
In 'chem_comp_atom' category:
The 'comp_id' field value 'GLC-b-D' is not same as 'GLC' defined in data block
name.
I have copied sucrose directly from 5d3g.cif in Coot, and refined in phenix. I
have also made the sucrose manually and acquired the cif from another website,
followed by placement in Coot and refinement with phenix.
Any thoughts how to save the file in a way that PDB will accept?
Natalie
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Deborah Harrus, Ph.D.
PDBe Archive Project Leader, Biocuration Lead
PDBe - Protein Data Bank in Europe
European Bioinformatics Institute (EMBL-EBI)
European Molecular Biology Laboratory
Wellcome Trust Genome Campus
Hinxton
Cambridge CB10 1SD UK
http://www.PDBe.org
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