Gentoo Project

Chemistry Project

Outdated Packages

• sci-chemistry/autodock_vina

  Program for drug discovery, molecular docking and virtual screening
• sci-chemistry/gelemental

  Periodic table viewer with detailed information on the chemical elements
• sci-chemistry/GromacsWrapper

  Python framework for Gromacs
• 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/molmol

  Publication-quality molecular visualization package
• sci-chemistry/molsketch

  A drawing tool for 2D molecular structures
• sci-chemistry/mopac7

  Autotooled, updated version of a powerful, fast semi-empirical package
• sci-chemistry/mustang

  MUltiple STructural AligNment AlGorithm
• sci-chemistry/namd

  A powerful and highly parallelized molecular dynamics code
• sci-chemistry/ParmEd

  Parameter and topology file editor and molecular mechanical simulator engine
• sci-chemistry/raster3d

  Generation high quality raster images of proteins or other molecules
• 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/wxmacmolplt

  Chemical 3D graphics program with GAMESS input builder
• sci-libs/spglib

  Spglib is a C library for finding and handling crystal symmetries