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
The other challenge with this is that GLYCAM is incompatible with OpenMM's topology-matching approach to assigning templates - there are many templates with the same bond topology, just differing in chirality at one or more sites. ISOLDE works around it by assuming the residue name is correct (i.e. PDB standard), then narrows down to the correct template by looking at which oxygens are bonded to neighboring sugars. But you'd probably also want to be able to support people who've already applied GLYCAM names to the residues.
This is currently blocked by ParmEd/ParmEd#1136
The text was updated successfully, but these errors were encountered: