Macs in Chemistry

Insanely Great Science

New Applications

Aten can:
  • Edit molecules and multi-molecule configurations, or build them from scratch
  • Handle periodic configurations such as crystals and condensed phases such as liquids
  • Be fully scripted / automated
  • Import/export coordinates in the format of your choice with its Filters system


SMSD is a Java based software library for calculating Maximum Common Subgraph (MCS) between small molecules. This will help us to find similarity/distance between two molecules. MCS is also used for screening drug like compounds by hitting molecules, which share common subgraph (substructure).

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Zodiac has been updated.
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