You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
atom_type is required and populated for atomic models. For consistency, the table could be populated for multi-scale models as well (perhaps based on the components in chem_comp).
The text was updated successfully, but these errors were encountered:
I'm not sure if this makes sense though. atom_type according to the docs is intended to "record details about the properties of the atoms that occupy the atom sites" rather than, say, the chemical composition of the modeled system. In a coarse-grained model, we don't have atoms. Compare this with an x-ray structure where the "real" system is approximated by a no-hydrogen model; atom_type doesn't contain H.
An additional complication is that the chemical formula isn't mandatory for chem_comp, so we might not know the atoms in a coarse-grained model anyway.
atom_type
is required and populated for atomic models. For consistency, the table could be populated for multi-scale models as well (perhaps based on the components inchem_comp
).The text was updated successfully, but these errors were encountered: