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Open3DALIGN x64
Open3DALIGN x64 2.28   
... 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 ...
Freeware
tags: x64 molecular alignment, x64 molecular dynamics, x64 dataset compound, x64 molecule, x64 alignment, x64 compund

Ascalaph Designer
Ascalaph Designer 1.8.94   
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, ...
Freeware
tags: Molecular Model, Molecular Simulation, Molecular Designer, Molecular, Designer, Simulation

Gabedit
Gabedit 2.5.1   
... of calculation results including support for most major molecular file formats. The advanced "Molecule Builder" allows to ... and (partially) ADF calculation results, including the following Molecular orbitals. Surfaces from the electron density, electrostatic potential, ...
Open Source
tags: chemistry package, molecule specification, molecule builder, chemistry, package, molecule
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