/tools/spyrmsd

spyrmsd

RMeli/spyrmsd

110 stars9 forksPythonWebsiteAdded February 4, 2026
summary

sPyRMSD is a Python tool designed for symmetry-corrected RMSD calculations, which helps in comparing molecular structures. It can be used as a standalone tool or as a module, making it versatile for applications in drug discovery and computational biology.

description

📐 Symmetry-corrected RMSD in Python

topics

rmsdsymmetrycaddcomputational-biologycomputational-chemistrycomputer-aided-drug-designdockingdrug-discoverymolecular-docking

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