jaredsampson / pymolprobityLinks
A MolProbity-style visualization plugin for PyMOL
☆16Updated 3 years ago
Alternatives and similar repositories for pymolprobity
Users that are interested in pymolprobity are comparing it to the libraries listed below
Sorting:
- Fully automated docking pipeline (can be run in distributed environments)☆50Updated 3 weeks ago
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆84Updated 2 weeks ago
- Pymol ScrIpt COllection (PSICO)☆61Updated 2 months ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Updated 8 months ago
- ☆55Updated 4 months ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆65Updated 4 years ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆94Updated 6 months ago
- ☆96Updated 7 months ago
- volume calculation and segmentation☆35Updated last year
- rdkit scripts making life easier☆74Updated last week
- Code and resources for the EPSRC BioSimSpace project.☆78Updated last month
- FreeSASA Python Module☆56Updated 2 months ago
- Ligand-Protein Interaction Mapping☆62Updated 5 months ago
- A python toolkit for analysing membrane protein-lipid interactions.☆68Updated 2 years ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆84Updated 2 months ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆148Updated last month
- Simple protein-ligand complex simulation with OpenMM☆89Updated 2 years ago
- Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data☆61Updated 3 years ago
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 5 years ago
- Trusted force field files for gromacs☆60Updated 11 months ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆61Updated 3 weeks ago
- Computational Chemistry Workflows☆55Updated 3 years ago
- An application for configuring and running simulations with OpenMM☆74Updated 2 weeks ago
- ☆69Updated last year
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆82Updated 3 weeks ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆45Updated 2 years ago
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆36Updated last week
- Tool suite for analysing molecular dynamics trajectories using network analysis and PRS☆51Updated 4 months ago
- ☆45Updated 5 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆54Updated 3 months ago