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| STERGEN |
| Enumeration of stereoisomers. |
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Features |
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| Features |
Description |
| task |
Enumeration of stereoisomers |
| input
file format |
SDFile, SMILES |
| output
file format |
SDFile |
| enumeration |
generates
stereoisomers from the automatic perception of
tetrahedral chiral centers and cis/trans double bonds
the number of generated stereoisomers
is controllable by restricting the number of processed
stereocenters and/or output stereoisomers |
| speed
and reliability |
handles
properly a broad range of organic compounds
processes a data set of 100,100 small
to medium-sized molecules in 498 sec on a 1.0 GHz workstation
(5 ms/cpd, 100% conversion rate) |
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User Interface
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| Command line interface supporting
batch mode |
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System Requirements |
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- SUSE Linux (Release 8/9, Kernel 2.4/2.6 for x86, AMD64)
- Red Hat Linux 8, 9, Enterprise (Kernel 2.4/2.6 for x86)
- Sun SPARC, Solaris 2.8 or higher
- Silicon Graphics, IRIX 6.5
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Additional Info |
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| Downloadable PDFs
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| A demo version is available on request.
Please register yourself for our .
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