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framework-topology

Turns a crystal structure (CIF) of a hydrogen-bonded, coordination or covalent framework into its underlying net and the quantities a topology question asks for: node definition, the periodic quotient graph, connectivity as distinct neighbours rather than bond counts, degree of interpenetration, coordination sequences and RCSR three-letter symbols, and internodal distances. Use whenever a task asks for the topology, connectivity, interpenetration or net symbol of a HOF, MOF, COF or molecular crystal from CIF or coordinate data; use atomistic-workflows for simulation setup and cheminformatics-definitions for molecular descriptors.

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synthetic-sciences/openscience

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backend/cli/skills/chemistry/framework-topology/SKILL.md

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