A software package is described that operates on small molecules observed in the PDB collection of protein structures. Molecular topology files for many molecular modeling programs can be generated automatically. The three-dimensional coordinates of small molecules can be converted to molecular desc
IGOR2: a PC-program for generating new reactions and molecular structures
β Scribed by Johannes Bauer
- Publisher
- Elsevier Science
- Year
- 1989
- Weight
- 645 KB
- Volume
- 2
- Category
- Article
- ISSN
- 0898-5529
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β¦ Synopsis
The PC program IGOR2 can be used to generate chemical reactions as well as structural features of molecules. The mode of operation and the practical use of IGOR2 are explained. Its application is illustrated by example runs that are described in detail. The IGOR2 program and the example data files are included on disk. The manual is included as an appendix.
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