Kinetic Molecular Theory
Statistics::SDT Perl package contains signal detection theory measures of sensitivity and response-bias. SYNOPSIS use Statistics::SDT; $sdt = Statistics::SDT->new( { hits => 50, signal_trials => 50, false_alarms => 17, noise_trials => 25, correct => 2, } ); $d =...
Platforms: *nix
License: Freeware | Size: 7.17 KB | Download (93): Statistics::SDT Download |
Bio::MCPrimers is a Perl module to create molecular cloning PCR primer pairs for a given gene so that the gene can be directionally inserted into a vector. Solver is generic, restriction enzymes and their order in the vector are specified in the caller. XPORT SUBROUTINES sub find_mc_primers...
Platforms: *nix
License: Freeware | Size: 174.08 KB | Download (109): Bio::MCPrimers Download |
LAMMPS project is a Molecular Dynamics Simulator. LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grain systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the mesoscale...
Platforms: *nix
License: Freeware | Download (129): LAMMPS Download |
Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is...
Platforms: Windows
License: Freeware | Size: 5.2 MB | Download (420): Open3DALIGN x64 Download |
BALLView is our standalone molecular modeling and visualization application. Furthermore it is also a framework for developing molecular visualization functionality. It is available free of charge under the GPL for Linux, Windows and MacOS.
It provides fast OpenGL-based visualization of...
Platforms: Windows
License: Freeware | Size: 38 MB | Download (461): BALLView Download |
PyMOL is a user-sponsored molecular visualization system on an open-source foundation. Please support development of this open, effective, and affordable software by purchasing an incentive copy, which is pre-built and comes with maintenance and support.
PyMOL can interpret over 30 different...
Platforms: Windows, Mac, Linux
License: Freeware | Size: 9.1 MB | Download (443): PyMOL Download |
The Ascalaph Designer application was developed for molecular models and simulations. Using this application you can simulate, molecular graphics, optimization, molecular dynamics, quantum chemistry.
Features:
Molecular graphics
Multiple windows
Two cameras per model
CPK, Wire frame,...
Platforms: Windows
License: Freeware | Size: 72 MB | Download (442): Ascalaph Designer Download |
Geneious is a useful, unique and easy-to-use software system which has been designed to greatly speed up and simplify the research in molecular biology and biochemistry.
Geneious is a cross-platform research engine for the retrieval, organization and analysis of biomolecular data that allows...
Platforms: Windows
License: Freeware | Size: 39.6 MB | Download (468): Geneious Basic Download |
MOPlot is a handy visualization application specially designed for fast molecular orbitals plotting from the outputs of the Gaussian 03/98/94, Molcas, Gamess/US quantum chemical calculation packages. This Molecular Orbital Plotting Program will prove to be easy-to-use and very efficient.
MOPlot...
Platforms: Windows, XP
License: Freeware | Download (478): MOPlot Download |
Geneious is a useful, unique and easy-to-use software system which has been designed to greatly speed up and simplify the research in molecular biology and biochemistry.
Geneious is a cross-platform research engine for the retrieval, organization and analysis of biomolecular data that allows...
Platforms: Windows
License: Freeware | Size: 39.6 MB | Download (504): Geneious Basic x64 Download |
Open3DGRID is an application designed for high-throughput generation of molecular interaction fields or MIFs. Open3DGRID can generate steric potential, electron density and MM / QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA / CoMSIA...
Platforms: Windows
License: Freeware | Download (466): Open3DGRID x64 Download |
Open3DGRID is an application designed for high-throughput generation of molecular interaction fields or MIFs. Open3DGRID can generate steric potential, electron density and MM / QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA / CoMSIA...
Platforms: Linux
License: Freeware | Download (434): Open3DGRID for Linux Download |
Open3DGRID is an application designed for high-throughput generation of molecular interaction fields or MIFs. Open3DGRID can generate steric potential, electron density and MM / QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA / CoMSIA...
Platforms: Mac
License: Freeware | Download (424): Open3DGRID for Mac OS X Download |
Open3DGRID is an application designed for high-throughput generation of molecular interaction fields or MIFs. Open3DGRID can generate steric potential, electron density and MM / QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA / CoMSIA...
Platforms: Windows
License: Freeware | Download (421): Open3DGRID Download |
Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is...
Platforms: Mac
License: Freeware | Size: 3.6 MB | Download (434): Open3DALIGN for Mac OS X Download |
Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is...
Platforms: Windows
License: Freeware | Size: 4.1 MB | Download (424): Open3DALIGN Download |
Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is...
Platforms: Linux
License: Freeware | Size: 3.3 MB | Download (430): Open3DALIGN for Linux Download |
PaDEL-Descriptor is a handy utility designed to perform molecular calculation. It calculates 797 descriptors (663 1D, 2D descriptors and 134 3D descriptors) and 10 types of fingerprints.
Platforms: Windows
License: Freeware | Download (510): PaDEL-Descriptor Download |
The DynaFit application was developed to perform nonlinear least-squares regression of chemical kinetic, enzyme kinetic, or ligand-receptor binding data. The experimental data can be either initial reaction velocities in dependence on the concentration of varied species (e.g., inhibitor...
Platforms: Windows
License: Freeware | Size: 5.8 MB | Download (56): DynaFit Download |
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded...
Platforms: Mac, Linux
License: Freeware | Size: 9.92 MB | Download (675): Gromacs for Mac OS X and Linux Download |