SRSC Chemistry

Science Research Software Core : CHEMISTRY

Software Name A-Z
Description
Version
OS
Eligibility,Cost
Availability

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AutoDock Vina Molecular Docking Software Vina 1.2.5 Win; Mac; Linux Free 1*,2 SRSC support
Avogadro Molecular Viewer 1.2.0 Win; Mac; Linux Free 1* SRSC support
BIOVia Draw (ISIS Draw) Chemical Structure Drawing Suite. 2024 Win Free 1* SRSC support
ChemDraw Chemical Structure Drawing Suite. 23.1.1 Win; Mac Free 1**,3,4 SRSC support
ITS for subscription
JMol / JsMol Java or JavaScript based tool for molecule visualization 16.2.21 Win; Mac; Linux Free 1* SRSC support
JSecView JAVA applets for the display of JCAMP-DX and AnIML/CML spectral file 2 Win; Mac; Linux Free 1* SRSC support
OpenBabel Chemistry toolbox to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, etc. 3.4.1 Win; Mac; Linux Free 1*,2 SRSC support
Pymol Molecular Visualiation System including APBS - electrostatic potential calculations 3.1 Win; Mac; Linux Free 1*,2,3 SRSC support
Spartan Molecular Modeling and Computational Chemistry Software 24 Win; Mac; Linux Free 1* SRSC support

Availability Legend: 1 - Local computer [*Contact SRSC support for an installer  ** Yale Software Library]

2 - HPC, 3 - ITSMyApps (Yale Desktop), 4 - Student Computer Clusters (Avail on major clusters)