kabsch

There are 0 repository under kabsch topic.

• charnley / rmsd

  Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

  alignmentassignmentatomskabschmoleculepdbreorderingrmsdstructurexyz
  Language:Python 474

• radi0sus / xyzoverlay

  Python 3 script for overlaying or superimposing two or more molecules. The overlayed / superimposed molecules can be displayed and the modified coordinates can be saved as xyz files. Coloring by atom or molecule is possible.

  computational-chemistrydftkabschkabsch-algorithmmoleculemoleculesoverlaysuperpositionxyz-filesxyz-readercoordinatesmolecule-viewermolecule-visualizationcoordination-chemistryinorganic-chemistry
  Language:Python 6

• ardcore / fit_transform

  Calculate and apply the optimal transformation matrix that minimizes the RMSD (root mean squared deviation) between two paired sets of points.

  kabschrmsdcheminformaticsmolecular-modeling
  Language:JavaScript 4

• nbehrnd / aRMSD

  Pairwise structural comparison of .xyz, a fork of aRMSD to work without PyInstaller in Linux. Note the project «aRMSD-minimalWindowsSupport», too.

  pythonstructuremodelalignmentcrystallographykabschkabsch-algorithmrmsdcifpdbxyz
  Language:Python 4

• sha-kil / kabschjs

  A simple library to compute rigid transformation matrix between two point sets.

  kabschtransformation-matrix
  Language:TypeScript 1

• boneta / RMSD-Clustering

  Clustering based on RMSD

  chemistryclusteringf2pykabschrmsd
  Language:Python 0

• nbehrnd / rmsdModerator

  batchwise Kabsch test with Jimmy Charnley's calculate_rmsd (https://github.com/charnley/rmsd) on multiple CPUs

  pythoncrystallographykabschsimilarityrmsdxyz
  Language:Python