spyrmsd: symmetry-corrected RMSD calculations in Python
Root mean square displacement (RMSD) calculations play a fundamental role in the comparison of different conformers of the same ligand. This is particularly important in the evaluation of protein-ligand docking, where different ligand poses are generated by docking software and their quality is usua...
| Main Authors: | , |
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| Formato: | Journal article |
| Idioma: | English |
| Publicado: |
BioMed Central
2020
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