Objects

Scipion Chem defines a list of objects aimed to provide a Scipion wrapper for the most common types of files and structures used in Virtual Drug Screening.

Warning

This is WIP. Information will be filled as time goes by.

General

• DatabaseID:

• SetOfDatabaseID:

• SequenceChem:

• SetOfSequencesChem:

• SequenceVariants:

• SmallMolecule:

• SetOfSmallMolecules:

• BindingSite:

• SetOfBindingSites:

• SequenceROI:

• SetOfSequenceROIs:

• StructROI:

• SetOfStructROIs:

• ProteinAtom:

• ProteinResidue:

• MDSystem:

• PharmFeature:

• PharmacophoreChem:

Reactions

• ChemicalReaction: Represents a chemical reaction, where one or more chemical compounds (SmallMolecules) produce other compounds.