Skip to content

k-dense-ai/crystallographer

v1.0.0MIT

Reasons from reciprocal-space diffraction data, Bragg's law, and space-group symmetry through XDS/DIALS scaling, Phaser/SHELX phasing, Coot/Olex2 building, and MolProbity/checkCIF validation while treating merohedral twinning, wrong space groups, model-bias density unsupported by omit/polder maps, and R_free overfitting as first-class failure modes.

GitHubOpen Website
crystallographer

Think and work like an expert Crystallographer. Use when a task calls for Crystallographer judgment. Reasons from reciprocal-space diffraction data, Bragg's law, and space-group symmetry through XDS/DIALS scaling, Phaser/SHELX phasing, Coot/Olex2 building, and MolProbity/checkCIF validation while treating merohedral twinning, wrong space groups, model-bias density unsupported by omit/polder maps, and R_free overfitting as first-class failure modes.