rcsb / py-mmcif
mmCIF Core Access Library
☆40Updated this week
Alternatives and similar repositories for py-mmcif:
Users that are interested in py-mmcif are comparing it to the libraries listed below
- Calculation of interatomic interactions in molecular structures☆82Updated 4 months ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆73Updated last month
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆30Updated last week
- A comprehensive toolkit for predicting free energies☆50Updated last week
- ☆38Updated last month
- A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"☆35Updated last year
- Modeling with limited data☆55Updated 2 months ago
- Python interface for the RCSB PDB search API.☆55Updated last month
- A tool for setting up free energy simulations.☆35Updated 2 years ago
- FreeSASA Python Module☆48Updated last year
- A python module to plot secondary structure schemes☆25Updated last year
- Adding hydrogens to molecular models☆38Updated 2 months ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆34Updated last month
- Code and resources for the EPSRC BioSimSpace project.☆78Updated 2 months ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- ☆32Updated last week
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆74Updated 7 months ago
- A python toolkit for analysing membrane protein-lipid interactions.☆63Updated last year
- Simple protein-ligand complex simulation with OpenMM☆74Updated last year
- Pymol ScrIpt COllection (PSICO)☆58Updated 5 months ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆55Updated last week
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated 4 months ago
- ☆63Updated 6 months ago
- Trusted force field files for gromacs☆43Updated 2 months ago
- ☆51Updated last year
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆63Updated last week
- Analysis of non-covalent interactions in MD trajectories☆51Updated 2 weeks ago
- An application for configuring and running simulations with OpenMM☆62Updated 2 months ago
- Calculation of interatomic interactions in molecular structures☆70Updated 3 years ago
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆103Updated last year