MN.STERGEN - Enumeration of Stereoisomers

Overview [hide]
  1. Features & Functionality
  2. User Interface
  3. System Requirements
  4. Additional Info
  5. Evaluation Version

STERGEN generates stereoisomeric forms of a chemical compound.

Features & Functionality

Features Description
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
scope of application handles properly a broad range of organic compounds
speed and reliability 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)

User Interface

  • Command line interface supporting batch mode

System Requirements

  • 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

Additional Info

Downloadable PDFs

Evaluation Version

A demo version is available on request free of charge. Please register yourself for our download area.