Packages
Get Gentoo!
gentoo.org sites
gentoo.org
Wiki
Bugs
Forums
Packages
Planet
Archives
Sources
Infra Status
Home
Packages
Maintainers
USE flags
Architectures
About
Gentoo Project
Chemistry Project
Packages
53
Stabilization
0
Outdated
14
Pull requests
0
Bugs
88
Security
1
Changelog
dev-scheme
dev-scheme/goosh
Small process-control library for Guile
sci-chemistry
sci-chemistry/autodock
A suite of automated docking tools
sci-chemistry/autodock_vina
Program for drug discovery, molecular docking and virtual screening
sci-chemistry/avogadro2
Advanced molecule editor and visualizer 2
sci-chemistry/bodr
The Blue Obelisk Data Repository listing element and isotope properties
sci-chemistry/cara-bin
Analysis of NMR spectra and Computer Aided Resonance Assignment
sci-chemistry/chemical-mime-data
A collection of data files to add support for chemical MIME types
sci-chemistry/chemtool
A GTK program for drawing organic molecules
sci-chemistry/clashlist
Build lists of van der Waals clashes from an input PDB file
sci-chemistry/cluster
Build lists of collections of interacting items
sci-chemistry/easychem
Chemical structure drawing program - focused on presentation
sci-chemistry/elem
periodic table of the elements
sci-chemistry/gelemental
Periodic table viewer with detailed information on the chemical elements
sci-chemistry/gperiodic
Periodic table application for Linux
sci-chemistry/gromacs
The ultimate molecular dynamics simulation package
sci-chemistry/GromacsWrapper
Python framework for Gromacs
sci-chemistry/ksdssp
An open source implementation of sci-chemistry/dssp
sci-chemistry/modeller
Homology or comparative modeling of protein three-dimensional structures
sci-chemistry/molden
Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac
sci-chemistry/moldy
Molecular dynamics simulations platform
sci-chemistry/molmol
Publication-quality molecular visualization package
sci-chemistry/molsketch
A drawing tool for 2D molecular structures
sci-chemistry/mpqc
The Massively Parallel Quantum Chemistry Program
sci-chemistry/msms-bin
MSMS very efficiently computes triangulations of Solvent Excluded Surfaces
sci-chemistry/mustang
MUltiple STructural AligNment AlGorithm
sci-chemistry/openbabel
Interconverts file formats used in molecular modeling
sci-chemistry/ParmEd
Parameter and topology file editor and molecular mechanical simulator engine
sci-chemistry/pdbcat
Manipulate and process PDB files using tools such as Perl, awk, etc
sci-chemistry/pdbcns
Convert atom names for amino acids/nucleic acid bases between PDB and CNS format
sci-chemistry/pdbmat
Calculate Tirion's model from pdb structures
sci-chemistry/probe
Evaluates atomic packing within or between molecules
sci-chemistry/propka
pKa-value prediction of ionizable groups in protein and protein-ligand complexes
sci-chemistry/psi
Suite for ab initio quantum chemistry computing various molecular properties
sci-chemistry/pymol
A Python-extensible molecular graphics system
sci-chemistry/raster3d
Generation high quality raster images of proteins or other molecules
sci-chemistry/suitename
The ROC RNA Ontology nomenclature and conformer-list development
sci-chemistry/surf
Solvent accesible Surface calculator
sci-chemistry/theseus
Maximum likelihood superpositioning and analysis of macromolecular structures
sci-chemistry/threeV
3V: Voss Volume Voxelator
sci-chemistry/tinker
Molecular modeling package that includes force fields, such as AMBER and CHARMM
sci-chemistry/tm-align
Quick & Accurate Structural Alignment
sci-chemistry/vmd
Visual Molecular Dynamics
sci-chemistry/votca
Versatile Object-oriented Toolkit for Coarse-graining Applications
sci-chemistry/wxmacmolplt
Chemical 3D graphics program with GAMESS input builder
sci-chemistry/xds-bin
Software for processing single-crystal X-ray monochromatic diffraction data
sci-libs
sci-libs/avogadrolibs
Advanced molecule editor and visualizer 2 - libraries
sci-libs/clashscore-db
Clashscore-db for clashlist
sci-libs/fetk
The Finite Element ToolKit - Meta package
sci-libs/inchi
Program and library for generating standard and non-standard InChI and InChIKeys
sci-libs/numkit
Numerical first aid kit (with numpy/scipy)
sci-libs/spglib
Spglib is a C library for finding and handling crystal symmetries
sci-mathematics
sci-mathematics/diagrtb
Calculation of some eigenvectors of a large real, symmetrical, matrix
x11-libs
x11-libs/liboglappth
Libary for OpenGL applications with easy-to-code scene setup and selection
Description
The Chemistry Project handles all chemistry related activities in Gentoo.
External Resources
CI Report
(
verbose
)
Documentation
Members
Alexey Shvetsov
Nicolas Bock
Francisco (Pacho) Ramos
Shortcuts
dev-scheme
sci-chemistry
sci-libs
sci-mathematics
x11-libs