Modules

ModuleSource FileDescription
rmsdrmsd.f90
rmsd_configconfig.f90

Configuration data for calculations of RMSDs between structures

rmsd_filterfilter.f90

Implementation of a filter type to store selection rules for molecular structure components based on atomic numbers and element symbols.

rmsd_lsls.f90

Implementation of the least-square RMSD fit of two structures

rmsd_tomltoml.f90

Proxy interface to TOML-Fortran library

rmsd_versionversion.f90

Versioning information on this library.

targtarg.f90