What is LigParse and how can I use it?

LigParse is a tool for filtering and characterizing large collections of molecules. LigParse can be used as part of a LigPrep run or separately. Structures can be removed that either match or don't match the specified conditions. Counts of various types of functional groups or some molecular characteristics for collections of molecules can be generated. Other mechanisms for selecting subsets of molecules are also available via LigParse. For more information consult the LigParse appendix of the LigPrep User Manual.

LigParse is no longer used by default in LigPrep, which uses LigFilter instead.

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