/** * Get NIPROT IDs from PDB structure */ Map<String, String> chainUniprotIds(Structure pdbStruct) { Map<String, String> chain2uniproId = new HashMap<String, String>(); for (DBRef dbref : pdbStruct.getDBRefs()) { if (debug) Gpr.debug("PDB_DBREF\tchain:" + dbref.getChainName() + "\tdb: " + dbref.getDatabase() + "\tID: " + dbref.getDbAccession()); if (dbref.getDatabase().equals(UNIPROT_DATABASE)) chain2uniproId.put(dbref.getChainName(), dbref.getDbAccession()); } return chain2uniproId; }