Molecules and Systems catalog
The Molecule Catalog
and the System Catalog
are the spaces where the user can find the results of the polymer builder
runs.
The System
is a generic term for any simulation system that as been created.
The Molecule
is a System
with one single molecule
(all the atoms experience the same interatomic potential, defined in the topology as a single entity.)
The systems/molecules catalogues are also the places where the user can manage the submission of the polymers constructions. When the user creates a polymer using the step by step process, the created polymer will be listed here with status 'not-submitted'. The user can go to actions and start the process clicking on Start Processing. The calculation will be submitted and the status can be monitored from the list. From here, the user can also delete molecules/systems and download the results when the processing is 'completed'. In case of failure in the construction, the state will display the 'failed' label, and the user can download the log file of the scientific program. In there, the user should find the reason of the failure in the construction and can therefore modify the creation steps in order to solve the failure.
