Molecular
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 |
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 |
This m-file gives the atomic weight of any element or molecular weight of any chemical species.Input:species = (cell array)The species is the 'formula'.Output:Atomic weight of any element or molecular weight of any chemicalspecies.
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (46): amolwt Download |
This is set of functions that allow opening of Molecular Imaging atomic force microscope files into Matlab matrix. Unzip the files in one directory and type in Matlab command prompt:y=ReadSTP('pathfilename.stp',buffer number).Matrix y will contain z values of measured surface. Comments will show...
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (43): ReadSTP Download |
Path-O-Gen is a tool for investigating the temporal signal and 'clocklikeness' of molecular phylogenies. It can read and analyse contemporaneous trees (where all sequences have been collected at the same time) and dated-tip trees (where sequences have been collected at different dates). It is...
Platforms: Mac
License: Freeware | Size: 2.51 MB | Download (38): Path-O-Gen Download |
Ascalaph Graphics is a program for molecular graphics and dynamics, as well as a graphical shell to package of molecular dynamics MDynaMix. Features: Molecular graphics Multiple windows Two cameras per model CPK, Wire frame, Stick, Ball and Stick and CPK Wire frame styles Molecular...
Platforms: *nix
License: Freeware | Size: 16.15 MB | Download (36): Ascalaph Graphics for Linux Download |
gOpenMol is a tool for the visualization and analysis of molecular structures and their chemical properties. The program uses Tcl/Tk scripting engine and can thus be easily extended without modifying the kernel code. gOpenMol can also be extended by writing extensions using sharable objects...
Platforms: *nix
License: Freeware | Size: 28.24 MB | Download (51): gOpenMol Download |
EMBOSS is "The European Molecular Biology Open Software Suite", it is a free Open Source software analysis package specially developed for the needs of the molecular biology user community. The software automatically copes with data in a variety of formats and even allows transparent retrieval of...
Platforms: Most OSs
License: Freeware | Size: 17.6 MB | Download (1202): EMBOSS Download |
This is a very useful calculator for science students. The system contains a scientific calculator that can calculate molecular mass, and from this main calculator over 80 other calculators and science tools can be called.
These include an extensive measurement converter, an area and volume...
Platforms: Windows
License: Freeware | Size: 1.22 MB | Download (674): Science Calculator Download |
'FoldIt light' is a molecular modelling program to visualize and manipulate interactively protein structure files from the Brookhaven Protein Data Bank (PDB). It's an integrated environment allowing 3D manipulations as well as statistical analysis.
Platforms: Mac
License: Freeware | Size: 5 MB | Download (96): FoldIt light Download |
The Nucleic Acid MW widget allows to calculate the molecular weight of a nucleic acid sequence.
Platforms: Mac
License: Freeware | Download (104): Nucleic Acid MW widget Download |
Open3DQSAR is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, electron density and MM/QM electrostatic potential fields; furthermore, it can import GRIDKONT binary...
Platforms: Windows
License: Freeware | Size: 1.2 MB | Download (429): Open3DQSAR x64 Download |
Open3DQSAR is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, electron density and MM/QM electrostatic potential fields; furthermore, it can import GRIDKONT binary...
Platforms: Mac
License: Freeware | Size: 1.1 MB | Download (436): Open3DQSAR for Mac OS X Download |
SketchEl is an interactive chemical molecule sketching tool, and molecular spreadsheet data entry application. The feature set provided by the molecular sketcher is largely limited to the minimum features required to conveniently edit diagram representations of small molecule structures....
Platforms: Windows
License: Freeware | Download (454): SketchEl Download |
Open3DQSAR is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, electron density and MM/QM electrostatic potential fields; furthermore, it can import GRIDKONT binary...
Platforms: Linux
License: Freeware | Size: 1.4 MB | Download (460): Open3DQSAR for Linux Download |