Electrostatics / apbs-pdb2pqrLinks
APBS - software for biomolecular electrostatics and solvation
☆130Updated 5 years ago
Alternatives and similar repositories for apbs-pdb2pqr
Users that are interested in apbs-pdb2pqr are comparing it to the libraries listed below
Sorting:
- Pymol ScrIpt COllection (PSICO)☆64Updated last week
- C-library for calculating Solvent Accessible Surface Areas☆171Updated last month
- A primer on statistical mechanics for biochemists☆48Updated 3 years ago
- Python interface of cpptraj☆184Updated 3 weeks ago
- Use UCSF Chimera Python API in a standard interpreter☆59Updated 6 years ago
- Software for biomolecular electrostatics and solvation calculations☆120Updated last year
- ☆133Updated 9 years ago
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆68Updated 6 months ago
- LOOS: a lightweight object-oriented structure analysis library☆126Updated 2 months ago
- A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files☆180Updated 6 years ago
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆183Updated 3 months ago
- Dynamics PyMOL Plugin☆47Updated last year
- Biomolecular Illustration Tool☆120Updated last year
- analyse PDB files, run molecular-dynamics & analyse trajectories☆62Updated 7 years ago
- The MolScript program produces publication-quality images of macromolecular 3D structures.☆40Updated 3 years ago
- LiveCoMS GROMACS Tutorials Paper☆134Updated 6 years ago
- Sire Molecular Simulations Framework☆96Updated 2 years ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated 2 years ago
- Create DSSP and HSSP files☆94Updated last year
- A simple Python library to generate model peptides☆91Updated 5 years ago
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆192Updated 2 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Updated 4 years ago
- Control PyMOL sessions via IPython☆61Updated 3 years ago
- Catalog of Open Source Molecular Modeling Projects☆109Updated 2 months ago
- Open Source Protein REdesign for You v3☆56Updated last month
- Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by…☆162Updated 9 months ago
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆85Updated 3 months ago
- Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)☆106Updated 2 years ago
- python program for analyzing isothermal titration calorimetry data☆29Updated 6 years ago
- A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …☆117Updated 7 years ago