diff --git a/src/mol-model-formats/structure/pdb/to-cif.ts b/src/mol-model-formats/structure/pdb/to-cif.ts index b0643d4f1fcd16cc153a49ce8a06ee308ad63d33..853a1b9319eb97121a5394a55e772dde2621608a 100644 --- a/src/mol-model-formats/structure/pdb/to-cif.ts +++ b/src/mol-model-formats/structure/pdb/to-cif.ts @@ -212,6 +212,8 @@ export async function pdbToMmCif(pdb: PdbFile): Promise<CifFrame> { if (substringStartsWith(data, s, e, 'CRYST1')) { helperCategories.push(...parseCryst1(pdb.id || '?', data.substring(s, e))); } + // TODO CONNECT records => struct_conn + // TODO COMPND records => entity break; case 'H': if (substringStartsWith(data, s, e, 'HETATM')) { @@ -227,6 +229,7 @@ export async function pdbToMmCif(pdb: PdbFile): Promise<CifFrame> { helperCategories.push(parseHelix(lines, i, j)); i = j - 1; } + // TODO HETNAM records => chem_comp (at least partially, needs to be completed with common bases and amino acids) break; case 'M': if (substringStartsWith(data, s, e, 'MODEL ')) { @@ -243,10 +246,10 @@ export async function pdbToMmCif(pdb: PdbFile): Promise<CifFrame> { helperCategories.push(...parseMtrix(lines, i, j)); i = j - 1; } + // TODO MODRES records => pdbx_struct_mod_residue break; case 'O': - // TODO - // ORIGX to generate _atom_sites + // TODO ORIGX record => cif.database_PDB_matrix.origx, cif.database_PDB_matrix.origx_vector break; case 'R': if (substringStartsWith(data, s, e, 'REMARK 350')) { @@ -271,6 +274,7 @@ export async function pdbToMmCif(pdb: PdbFile): Promise<CifFrame> { helperCategories.push(parseSheet(lines, i, j)); i = j - 1; } + // TODO SCALE record => cif.atom_sites.fract_transf_matrix, cif.atom_sites.fract_transf_vector break; } }