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Projects in Awesome Lists tagged with rmsd
A curated list of projects in awesome lists tagged with rmsd .
https://github.com/charnley/rmsd
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
alignment assignment atoms kabsch molecule pdb reordering rmsd structure xyz
Last synced: 09 Oct 2024
https://github.com/rmeli/spyrmsd
📐 Symmetry-corrected RMSD in Python
cadd computational-biology computational-chemistry computer-aided-drug-design docking drug-discovery molecular-docking rmsd symmetry
Last synced: 30 Oct 2024
https://github.com/unixjunkie/fragger
A protein fragments picker
database ocaml protein-design protein-fragments protein-fragments-picker rmsd
Last synced: 15 Oct 2024
https://github.com/unixjunkie/chemoinfo_recipes
Command line recipes for the working chemoinformatician
chemaxon chemoinformatics howto ligand openbabel rdkit rmsd
Last synced: 15 Oct 2024
https://github.com/ardcore/fit_transform
Calculate and apply the optimal transformation matrix that minimizes the RMSD (root mean squared deviation) between two paired sets of points.
cheminformatics kabsch molecular-modeling rmsd
Last synced: 11 Oct 2024
https://github.com/chanioxaris/molecular-configurations
Clustering for molecular configurations
clusters curves frechet-distance metric-distance-algorithm rmsd
Last synced: 02 Nov 2024
https://github.com/nbehrnd/rmsdmoderator
batchwise Kabsch test with Jimmy Charnley's calculate_rmsd (https://github.com/charnley/rmsd) on multiple CPUs
crystallography kabsch python rmsd similarity xyz
Last synced: 14 Nov 2024
