SRSC Chemistry
Science Research Software Core : CHEMISTRY
Software Name A-Z |
Description |
Version |
OS |
Eligibility,Cost |
AvailabilitySEE LEGEND |
Get Help |
| 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)