AROMA

Web: AROMA
Citation: AROMA package, Anuja Rahalkar and Amnon Stanger, 2014 (Web: http://chemistry.technion.ac.il/members/אמנון-שטנגר/)
Description: Aroma is a plugin package that automates these procedures for NICS-scan (J. Org. Chem. 2006, 71, 883-893), the s-only model (J. Org. Chem. 2010, 75, 2281-2288) and the NICS-XY-scan (Chem. Eur. J., 2014, 20, 5673-5688) that are useful methods to determine the presence of diatropic and paratropic ring currents (aromaticity and antiaromaticity), local and global. The package is written as a plugin and uses Gaussian software package at the backend.

MeTA Studio

Web: MeTA Studio
Citation: MeTA studio: A cross platform, programmable IDE for computational chemist, V. Ganesh, J. Comput. Chem., 30, 661 (2009). (Web: https://github.com/tovganesh/metastudio)
Description: MeTA Studio is programmable IDE tailored for a computational chemist. Main features include:

• A programmable interface primarily through BeanShell with support for other languages (Python and Scheme)

• Workspace support

• Support for 3-D scalar field visualization and rendering (through JRman)

• Access to embedded Jmol, quantumj and mathutils libraries

• Support for divide-and-conquer type algorithms for large scale quantum chemical calculations

• A peer-to-peer networking interface for grouping instances of MeTA studio running on multiple machines to perform varied tasks including computation, rendering and collaboration