leonarski_fandClaude Opus 4.8
abbee2d4dc
Datasets may be confidential; sample names and measured unit cells committed to the repo can leak outside the group working on them. Scrub existing occurrences and add a "No sample identities in the repository" section to CLAUDE.md (forbidden: sample/dataset names, internal codes, measured cells tied to a sample; fine: space group / lattice / twinning descriptors). - Comments: replace internal dataset codes and protein names with the crystallographic situation they illustrate (centred vs pseudo-symmetric, holohedral, cubic, F-cubic/hexagonal, ...). - Docs: same, in the analysis/writer/stream references and example configs. - Tests: rename sample-named identifiers, TEST_CASE names, file prefixes and asserted labels to neutral crystallographic names (e.g. tetragonal_uc); behaviour unchanged. Reduce the CrystFEL reference PDB to a bare CRYST1 cell file (cell.pdb) and rename the reference data file. Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
5 lines
237 B
Plaintext
5 lines
237 B
Plaintext
REMARK Unit-cell reference for the optional CrystFEL indexing hint (see README.md).
|
|
REMARK Contains only the cell of the benchmark diffraction data - no model.
|
|
CRYST1 78.903 78.903 36.941 90.00 90.00 90.00 P 43 21 2 8
|
|
END
|