Atom naming matters for patched residues
Closed this issue · 1 comments
Eigenstate commented
The graph matching algorithm doesn't understand how patches work.
Need to implement the following:
- List of which patch/residue pairs are valid
- Assembly of graphs for those pairs. IE implementation of the DELE, BOND, etc command to modify an existing residue graph
- Atom name matching against those graphs
Eigenstate commented
Fixed with #11