encore-similarity / encoreLinks
An extension to the MDAnalysis library providing support for dealing with structural ensembles. There is currently support for calculating covariance matrices, ensemble similarities, entropy and conducting PCA analyses.
☆16Updated 7 years ago
Alternatives and similar repositories for encore
Users that are interested in encore are comparing it to the libraries listed below
Sorting:
- analyse PDB files, run molecular-dynamics & analyse trajectories☆62Updated 7 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Updated 4 years ago
- A Python platform for Structural Bioinformatics☆58Updated 8 months ago
- pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of str…☆27Updated 5 years ago
- Control PyMOL sessions via IPython☆61Updated 3 years ago
- Printing text using protein structures☆14Updated 4 years ago
- Pymol ScrIpt COllection (PSICO)☆63Updated 3 months ago
- Open Source Protein REdesign for You v3☆56Updated 3 weeks ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆37Updated 6 months ago
- A primer on statistical mechanics for biochemists☆47Updated 3 years ago
- Molecular Query Language☆35Updated last year
- A software research tool for the analysis of structural communication in protein ensembles☆13Updated 3 years ago
- A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site☆12Updated 4 years ago
- A mirror of official bio3d development site at Bitbucket: https://bitbucket.org/Grantlab/bio3d. See also bio3d website: http://thegrantl…☆26Updated 2 years ago
- A wxPython graphical interface for the PyRosetta and Rosetta protein modeling suites☆29Updated 7 years ago
- An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM☆19Updated 7 months ago
- A step-by-step tutorial to run Molecular Dynamics Simulations with enhanced sampling of a pepitide using PLUMED implemented in GROMACS to…☆15Updated last year
- Framework for the rapid modeling glycans and glycoproteins.☆31Updated 2 years ago
- Contact Prediction ToolKit☆21Updated last month
- A Python workflow to study protein-protein coevolution and interaction☆21Updated 8 years ago
- python program for analyzing isothermal titration calorimetry data☆29Updated 6 years ago
- Python script that creates 2D protein-ligand interaction images☆14Updated 7 years ago
- ☆30Updated 6 months ago
- PCA and normal mode analysis of proteins☆19Updated last year
- A platform to do RNA science☆27Updated 4 years ago
- Simulation code for the prediction of RNA structures.☆12Updated 10 months ago
- Use UCSF Chimera Python API in a standard interpreter☆59Updated 6 years ago
- Lab policies, training, style guides, etc.☆34Updated last year
- Python Tools for NAMD☆22Updated 7 months ago
- The python implementation of the MMTF API, decoder and encoder.☆46Updated 3 years ago