Computational workflows, which describe complex, multi-step procedures for automated execution, are essential for ensuring reproducibility, scalability, and efficiency in scientific research. The FAIRagro Scientific Workflow Infrastructure (SciWIn) supports scientists to create, execute, share, and publish these workflows, fostering collaboration and transparency.
Structural Analysis of Porphyrinoids Molecular structures of porphyrinoid macrocycles can be represented by a linear combination of their vibrational normal modes. With PorphyStruct displacement diagrams can be generated and simulated to gain insight into the conformation of the obtained substance.
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