- cloneAtomArray
Provides an equivalent copy of Atoms in a new array. Clones everything, starting
with parent groups
- filterLigands
Removes all polymeric and solvent groups from a list of groups
- getRepresentativeAtomArray
Gets a representative atom for each group that is part of the chain backbone.
Note that modified ami
- getUnalignedGroups
List of groups from the structure not included in ca (e.g. ligands). Unaligned
groups are searched f
- addGroupToStructure
Adds a particular group to a structure. A new chain will be created if
necessary.When adding multipl
- addGroupsToStructure
Add a list of groups to a new structure. Chains will be automatically created in
the new structure a
- cleanUpAltLocs
Cleans up the structure's alternate location (altloc) groups. All alternate
location groups should h
- cloneGroups
Clone a set of representative Atoms, but returns the parent groups
- convertAtomsToSeq
- duplicateCA2
Utility method for working with circular permutations. Creates a duplicated and
cloned set of Calpha
- extractAtoms
Adds to the given atoms list, all atoms of groups that contained all requested
atomNames, i.e. if a
- get1LetterCode
Convert a three letter amino acid or nucleotide code into a single character
code. If the code does