Structural Biology Software Database
Application Index Record
| Category: Molecular Visualization |
| PSI88 |
| Last Update: 02-22-2001 |
| Description: PSI88 is a molecular orbital plotting package. It consists of PSI1 which generates is a molecular orbital plotting package, PSICON which extracts contours from the 3D data and PSI2 which produces plots from the PSICON output. Molecular orbital coefficients for semi-empirical, STO-3G, 3-21++G(*) and 6-31++G(d,p) basis sets are implemented for atoms H-Ar. PSI88 does not have a graphical user interface. For interactive display and manipulation of molecular orbitals using PSI88, ChemEdit and XChemEdit can be used. ISOVIS from NCSA at the University of Illinois at Urbana-Champaign may be used for a 3D volume visualization of molecular orbitals in conjunction with PSI88. |
| Homepage: http://zarbi.chem.yale.edu/products/psi88/index.shtml |
| Screenshots Page: http://zarbi.chem.yale.edu/products/psi88/docs/manual/index.shtml#output_anchor |
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