Knowledge Base

Article ID: 855 - Last Modified:

When I ran a combinatorial library enumeration with CombiGlide, there were fewer structures returned than I expected. Why is this?

Structures can be eliminated in the enumeration because the side chains are overlapping ("tangled") and they cannot be untangled. For example, a chain from one attachment point might go through a ring on another. In this case the number returned is less than the expected number.

Keywords: library enumeration, CombiGlide

Back to Search Results

Was this information helpful?

What can we do to improve this information?


To ask a question or get help, please submit a support ticket or email us at help@schrodinger.com.
Knowledge Base Search

Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles