Is your feature request related to a problem? Please describe.
I am using a workflow that currently uses mmcif files. I currently have to convert to pdb files and load in as pdb.
Describe the solution you'd like
A simple Topology.from_cif() would be ideal
Describe alternatives you've considered
I have also tried loading into openmm with omm_prot = openmm.app.PDBxFile() and then doing Topology.from_openmm(omm_prot.topology), but this results in errors asking for unique molecules (which I don't have as openff format because I can't load the cif file into openff), and the openmm version of the protein doesn't have the correct architecture.
Additional context
Running simple MD simulations with proteins. I later add ligands to my protein to create the interchange hence why I'm using openff rather than just openmm.
Is your feature request related to a problem? Please describe.
I am using a workflow that currently uses mmcif files. I currently have to convert to pdb files and load in as pdb.
Describe the solution you'd like
A simple Topology.from_cif() would be ideal
Describe alternatives you've considered
I have also tried loading into openmm with omm_prot = openmm.app.PDBxFile() and then doing Topology.from_openmm(omm_prot.topology), but this results in errors asking for unique molecules (which I don't have as openff format because I can't load the cif file into openff), and the openmm version of the protein doesn't have the correct architecture.
Additional context
Running simple MD simulations with proteins. I later add ligands to my protein to create the interchange hence why I'm using openff rather than just openmm.