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perl-Struct-Compare/README.md

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perl-Struct-Compare

3rd Party (Maintained by Koozali) git repo for perl-Struct-Compare smeserver

Description


This description has been generated by an LLM AI system and cannot be relied on to be fully correct. Once it has been checked, then this comment will be deleted

Struct-Compare is a software package designed to quickly and easily compare two 3D molecular structures. It uses a variety of different algorithms to identify differences between the two structures, including RMSD (root mean square deviation), Superposition, and Alignment. Struct-Compare can be used to compare large and small molecules, and provides a detailed report of the differences between the two structures in terms of angles, distances, and torsion angles. It can also be used to compare ligands, identify binding sites, and for pharmacophore modeling.