Home

New CORAL (CORrelation And Logic) Software – CORALSEA

New CORAL (CORrelation And Logic) or CORALSEA is a freeware software developed together with Istituto di Ricerche Farmacologiche Mario Negri – Italy. It is a tool to build quantitative structure – property/activity relationships (QSPR/QSAR). The CORALSEA can be used on Windows XP and Windows 7 operative systems. The molecular structure must be represented by SMILES [...]

| Read further → January 26th, 2012 | No Comments | Posted in highlights, news, software |

NVSCC: Network Visualization System for Computational Chemistry

NVSCC is a molecular graphics program designed for the visualization of molecular systems. NVSCC accepts the output files from the most popular ab initio quantum chemical programs and performes geometrical reconstructions of molecular structures based on atomic coordinates.

| Read further → January 23rd, 2009 | Comments Off | Posted in software |

MaSK: Molecular Modeling and Simulation Kit

Molecular Modeling and Simulation Kit (MaSK) is the software that is useful in the visualization of various molecular properties calculated by either GAMESS or Gaussian® computational chemistry programs.

| Read further → January 23rd, 2009 | Comments Off | Posted in software |