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claire2015's Projects

c icon c

C语言经典示例

c-1 icon c-1

Compile and execute C "scripts" in one go!

mdanalysis icon mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

pdbremix icon pdbremix

analyse PDB files, run molecular-dynamics & analyse trajectories

pdbtools icon pdbtools

A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files

pyqcprot icon pyqcprot

Python implementation of the fast rmsd and optimal rotation matrix method by Douglas Theobald and Pu Liu

pyrmsd icon pyrmsd

pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of structures. It is specially tuned to do fast collective RMSD calculations, as pairwise RMSD matrices.

rmsd icon rmsd

Calculate RMSD for two XYZ structures

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