molecular freeware downloads
Open3DQSAR for Mac OS X
2.24 freeware download... at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, ... automated assignment of atom types to the imported molecular structures · Comprehensive output, including SDF molecular databases, ...
Ascalaph Quantum
1.7.12 freeware download... the quantum mechanical module is included in the molecular mechanics package, electrostatic calculations are given particular attention. The Electrostatics mode allows the potential derived charges ...
SketchEl
1.60 freeware download... 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 ...
Open3DGRID x64
2.3 freeware download... is an application designed for high-throughput generation of molecular interaction fields or MIFs. Open3DGRID x64 can generate steric potential, electron density and MM / QM ...
ExafsArchitect
1.1.2 freeware downloadExafsArchitect helps you to create molecular models (or grids of molecular models) that allows you, by systematically varying the ...
Open3DALIGN x64
2.28 freeware download... x64 is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is ... for each compound of the dataset a quenched molecular dynamics (QMD) conformational search is carried out to ...
Multiwfn
3.7 freeware download... memory requirement is very low. · Showing molecular structure and previewing orbitals (MO, NBO, natural orbital, etc.). · Outputting all supported properties at a ...
Open3DQSAR
2.24 freeware download... at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, ... automated assignment of atom types to the imported molecular structures · Comprehensive output, including SDF molecular databases, ...
Open3DQSAR for Linux
2.24 freeware download... at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, ... automated assignment of atom types to the imported molecular structures · Comprehensive output, including SDF molecular databases, ...
Open3DALIGN for Mac OS X
2.28 freeware downloadOpen3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is ... for each compound of the dataset a quenched molecular dynamics (QMD) conformational search is carried out to ...
Toxtree Portable
3.1.0 freeware download... to datasets from various compatible file types. User-defined molecular structures are also supported - they could be entered by SMILES, or by using the built-in ...
Avogadro
1.2.0 freeware downloadAvogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It ... powerful plugin architecture. Features: * Cross-Platform: Molecular builder for Windows, Linux, and Mac * Free, ...
Open3DGRID for Linux
2.3 freeware download... 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 ...
Open3DGRID
2.3 freeware download... 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 ...
Gas Sonic Velocity Calculator
1.0.0.1 freeware download... and their specific heat ratio along with their molecular weights for quick reference The calculator needs only the Temperature input to calculate the sonic velocity. ...
PyRx
0.8 freeware downloadPyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal ...
Open3DALIGN
2.28 freeware downloadOpen3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is ... for each compound of the dataset a quenched molecular dynamics (QMD) conformational search is carried out to ...
Geneious Basic x64
6.0.4 freeware download... greatly speed up and simplify the research in molecular biology and biochemistry. Geneious is a cross-platform ... and analysis of biomolecular data that allows any molecular biologist do core bioinformatics tasks in a flash ...
BioRuby
2.0.0 freeware download... free development tools and libraries for bioinformatics and molecular biology, for the Ruby programming language. BioRuby has components for sequence analysis, pathway analysis, protein modelling ...
Toxtree
3.1.0 freeware download... to datasets from various compatible file types. User-defined molecular structures are also supported - they could be entered by SMILES, or by using the built-in ...
jAGN
1.02 freeware download... insights about the activity of live organisms in molecular level. ...
CueMol
2.2.3.442 freeware download... with the user-friendly interfaces. Currently supported files are molecular coordinates (PDB format), electron density (CCP4, CNS , and BRIX format), MSMS surface data, and GRASP ...
Ascalaph Graphics
1.7.12 freeware download... includes the window interface and three-dimensional graphics of molecular models. Ascalaph Graphics shows molecular models in separate windows. Each window has two ... of each graphical window. FEATURES: · Molecular graphics in multiple windows · Molecular model building ...
Open3DALIGN for Linux
2.28 freeware downloadOpen3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is ... for each compound of the dataset a quenched molecular dynamics (QMD) conformational search is carried out to ...
Gromacs for Mac OS X and Linux
4.6.5 freeware downloadGROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion ... the usual algorithms you expect from a modern molecular dynamics implementation, (check the online reference or manual ...
