Unlike the branch name suggests, splitpdb was not altered at all. Instead, the get_pdb_file.sh was modified to check for NMR structures and where required include scripts to generate the biological assembly cif files. The scripts were included and PTGLgraphComputation was changed to ignore model IDs for NMR structures.
Unlike the branch name suggests, splitpdb was not altered at all. Instead, the get_pdb_file.sh was modified to check for NMR structures and where required include scripts to generate the biological assembly cif files. The scripts were included and PTGLgraphComputation was changed to ignore model IDs for NMR structures.