diff --git a/src/mol-model-formats/structure/pdb/atom-site.ts b/src/mol-model-formats/structure/pdb/atom-site.ts index 320d88595426ac0d5cd31c017ca5335832ad03c9..c47fa9d973e7c279194904063f08d0eb32a1f5bd 100644 --- a/src/mol-model-formats/structure/pdb/atom-site.ts +++ b/src/mol-model-formats/structure/pdb/atom-site.ts @@ -108,9 +108,9 @@ export function addAtom(sites: AtomSiteTemplate, model: string, data: Tokenizer, // 27 AChar Code for insertion of residues. if (str.charCodeAt(s + 26) === 32) { // ' ' - TokenBuilder.add(sites.label_alt_id, 0, 0); + TokenBuilder.add(sites.pdbx_PDB_ins_code, 0, 0); } else { - TokenBuilder.add(sites.label_alt_id, s + 26, s + 27); + TokenBuilder.add(sites.pdbx_PDB_ins_code, s + 26, s + 27); } // 31 - 38 Real(8.3) Orthogonal coordinates for X in Angstroms. @@ -129,7 +129,7 @@ export function addAtom(sites: AtomSiteTemplate, model: string, data: Tokenizer, if (length >= 66) { TokenBuilder.addToken(sites.B_iso_or_equiv, Tokenizer.trim(data, s + 60, s + 66)); } else { - TokenBuilder.add(sites.label_alt_id, 0, 0); + TokenBuilder.add(sites.B_iso_or_equiv, 0, 0); } // 73 - 76 LString(4) Segment identifier, left-justified. @@ -148,6 +148,9 @@ export function addAtom(sites: AtomSiteTemplate, model: string, data: Tokenizer, guessElementSymbolTokens(sites.type_symbol, str, s + 12, s + 16) } + // 79 - 80 LString(2) charge Charge on the atom. + // TODO + sites.pdbx_PDB_model_num[sites.index] = model; sites.index++;