Package list
sci-chemistry / GromacsWrapper : Python framework for Gromacs
sci-chemistry / MDAnalysis : A python library to analyze and manipulate molecular dynamics trajectories
sci-chemistry / ParmEd : Parameter and topology file editor and molecular mechanical simulator engine
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 / chemex : Program to fit chemical exchange induced shift and relaxation data
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 / dssp : The protein secondary structure standard
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 / gnome-chemistry-utils : Programs and library containing GTK widgets and C++ classes related to chemistry
sci-chemistry / gperiodic : Periodic table application for Linux
sci-chemistry / gromacs : The ultimate molecular dynamics simulation package
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 / moldy : Molecular dynamics simulations platform
sci-chemistry / molequeue : Abstract, manage and coordinate execution of tasks
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 / 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