Search: chemistry
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sci-chemistry/gnome-chemistry-utils
Programs and library containing GTK widgets and C++ classes related to chemistry
sci-chemistry/psi
Suite for ab initio quantum chemistry computing various molecular properties
sci-chemistry/mpqc
The Massively Parallel Quantum Chemistry Program
sci-chemistry/ksdssp
An open source implementation of sci-chemistry/dssp
sci-chemistry/erkale
Quantum chemistry program for atoms and molecules
sci-chemistry/gamess
A powerful quantum chemistry package
dev-perl/Chemistry-Elements
Perl extension for working with Chemical Elements
sci-chemistry/ssp
Secondary structure propensities
sci-chemistry/pymol
A Python-extensible molecular graphics system
sci-chemistry/procheck
Checks the stereochemical quality of a protein structure
sci-chemistry/pdbcat
Manipulate and process PDB files using tools such as Perl, awk, etc
sci-chemistry/molequeue
Abstract, manage and coordinate execution of tasks
sci-chemistry/drawxtl
Crystal structure drawings from structural data
sci-chemistry/jligand
Java interface which allows links descriptions to be created
sci-chemistry/chimera
Next generation molecular visualization program from RBVI
sci-chemistry/dssp
The protein secondary structure standard
sci-chemistry/chemtool
A GTK program for drawing organic molecules
sci-chemistry/mustang
MUltiple STructural AligNment AlGorithm
sci-chemistry/moldy
Molecular dynamics simulations platform
sci-chemistry/autodock
A suite of automated docking tools
sci-chemistry/gperiodic
Periodic table application for Linux
sci-chemistry/molsketch
A drawing tool for 2D molecular structures
sci-chemistry/pdbmat
Calculate Tirion's model from pdb structures
sci-chemistry/surf
Solvent accesible Surface calculator
sci-chemistry/avogadro2
Advanced molecule editor and visualizer 2
sci-chemistry/vesta
Visualization for Electronic and STructural Analysis
sci-chemistry/xcrysden
For the visualisation of molecular and crystal structures.
sci-chemistry/vesta-bin
Visualisation for Electronic and STructural Analysis.
sci-chemistry/theseus
Maximum likelihood superpositioning and analysis of macromolecular structures
sci-chemistry/cara-bin
Analysis of NMR spectra and Computer Aided Resonance Assignment
sci-chemistry/easychem
Chemical structure drawing program - focused on presentation
sci-chemistry/wxmacmolplt
Chemical 3D graphics program with GAMESS input builder
sci-chemistry/namd
A powerful and highly parallelized molecular dynamics code
sci-chemistry/aqua
Program suite in this distribution calculates restraint violations
sci-chemistry/clashlist
Build lists of van der Waals clashes from an input PDB file
sci-chemistry/modeller
Homology or comparative modeling of protein three-dimensional structures
sci-chemistry/concoord
Protein conformations around a known structure based on geometric restrictions
sci-chemistry/MotionCor2
Correction of electron beam-induced sample motion
sci-chemistry/dl_poly
a general purpose molecular dynamics simulation package
sci-chemistry/relion
Image-processing software for cryo-electron microscopy
sci-chemistry/xds-bin
Software for processing single-crystal X-ray monochromatic diffraction data
sci-chemistry/raster3d
Generation high quality raster images of proteins or other molecules
sci-chemistry/gelemental
Periodic table viewer with detailed information on the chemical elements
sci-chemistry/autodock_vina
Program for drug discovery, molecular docking and virtual screening
sci-chemistry/mdanalysis
A python library to analyze and manipulate molecular dynamics trajectories
sci-chemistry/elem
periodic table of the elements
sci-chemistry/vmd
Visual Molecular Dynamics
sci-chemistry/threeV
3V: Voss Volume Voxelator
sci-chemistry/GromacsWrapper
Python framework for Gromacs
sci-chemistry/ovito
Open Visualization Tool