- isValidRgroupQueryLabel
Validates a Pseudo atom's label to be valid RGroup query label (R1..R32).
- <init>
- getAllRgroupQueryAtoms
Returns all R# type atoms (pseudo atoms) found in the root structure.
- getRGroupDefinitions
- getRgroupQueryAtoms
Returns all R# type atoms (pseudo atoms) found in the root structure for a
certain provided RGgroup
- getRootAttachmentPoints
- getRootStructure
- allZeroArray
Helper method to see if an array is all zeroes or not. Used to check if the
distribution of substitu
- checkIfThenConditionsMet
Checks whether IF..THEN conditions that can be set for the R-groups are met. It
is used to filter aw
- findConfigurationsRecursively
Recursive function to produce valid configurations for #getAllConfigurations().
- findDistributions
Finds valid distributions for a given R# group and it occurrence condition taken
from the LOG line.
- getAllConfigurations