Structural Biology Software Database
Application Index Record
| Category: Molecular File Format Conversion |
| AutoZmat |
| Last Update: 02-22-2001 |
| Description: AutoZmat is a program which converts between file formats. It automates a generation of Z-matrix for BOSS, MCPRO, GAUSSIAN, MOPAC, JAGUAR, etc. The algorithm used here is a breadth-first search method in the graph theory with criteria in such a way that improper torsions are handled efficiently. Alternatively, Z-matrix can be built using a template Z-matrix. Hydrogen atoms can be added to vacant valencies to C, N, O, and S. |
| Homepage: http://zarbi.chem.yale.edu/products/autozmat/index.shtml |
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