PDBeurope / pdbecifLinks
A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"
☆39Updated 2 years ago
Alternatives and similar repositories for pdbecif
Users that are interested in pdbecif are comparing it to the libraries listed below
Sorting:
- Calculation of interatomic interactions in molecular structures☆112Updated last year
- Python interface for the RCSB PDB search API.☆65Updated 8 months ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆71Updated last month
- ☆45Updated last week
- Contact map analysis for biomolecules; based on MDTraj☆46Updated 11 months ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆62Updated last week
- Trusted force field files for gromacs☆64Updated last year
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆35Updated 4 months ago
- Modeling with limited data☆59Updated 4 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆29Updated last week
- pyKVFinder: Python-C parallel KVFinder☆27Updated last week
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆55Updated last month
- ☆51Updated 11 months ago
- ☆78Updated last month
- Scores for Hydrophobicity and Charges based on SASAs☆39Updated 5 months ago
- Fast, accurate, and deterministic protein side-chain packing☆36Updated 9 months ago
- Calculation of interatomic interactions in molecular structures☆83Updated 3 years ago
- ☆69Updated last year
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆81Updated 3 weeks ago
- An open-source library for the analysis of protein interactions.☆33Updated 3 years ago
- Modelling of Large Protein Complexes☆38Updated 3 months ago
- FreeSASA Python Module☆58Updated 3 months ago
- Analysis of non-covalent interactions in MD trajectories☆64Updated 10 months ago
- Protein structure descriptors and alignment based on 3D Zernike moments.☆38Updated last year
- Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…☆49Updated 3 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆53Updated 2 weeks ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆88Updated 4 months ago
- Analysis of contacts in molecular dynamics trajectories☆44Updated 6 years ago
- Code and resources for the EPSRC BioSimSpace project.☆78Updated 2 months ago
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆28Updated 3 months ago