private void printResolution(StringBuffer buf){ if (getResolution() == DEFAULT_RESOLUTION){ return; } DecimalFormat d2 = (DecimalFormat)NumberFormat.getInstance(java.util.Locale.UK); d2.setMaximumIntegerDigits(2); d2.setMinimumFractionDigits(2); d2.setMaximumFractionDigits(2); buf.append("REMARK 2 RESOLUTION. "); String x = d2.format(resolution); buf.append(x); buf.append(" ANGSTROMS."); fillLine(buf,34+x.length()); buf.append(newline); }
try { float res = Float.parseFloat(mR.group(1)); if (pdbHeader.getResolution()!=PDBHeader.DEFAULT_RESOLUTION) { logger.warn("More than 1 resolution value present, will use last one {} and discard previous {} " ,mR.group(1), String.format("%4.2f",pdbHeader.getResolution()));
if (pdbHeader.getResolution()!=PDBHeader.DEFAULT_RESOLUTION) { logger.warn("More than 1 resolution value present, will use last one {} and discard previous {} " ,r.getLs_d_res_high(), String.format("%4.2f",pdbHeader.getResolution()));
/** * Return true if the PDB structure passes the filter criteria I.e.: Resolution * less or equal to desire one and species matches */ boolean filterPdb(Structure pdbStruct) { // Within resolution limits? => Process double res = pdbStruct.getPDBHeader().getResolution(); if (res > pdbResolution) { if (debug) Gpr.debug("PDB resolution is " + res + ", ignoring file"); return false; } // Match organism (any chain) boolean ok = false; for (Chain chain : pdbStruct.getChains()) ok |= filterPdbChain(chain); return ok; }
mmtfDecoderInterface.setHeaderInfo(pdbHeader.getRfree(), pdbHeader.getRwork(), pdbHeader.getResolution(), pdbHeader.getTitle(), MmtfUtils.dateToIsoString(pdbHeader.getDepDate()), MmtfUtils.dateToIsoString(pdbHeader.getRelDate()), MmtfUtils.techniquesToStringArray(pdbHeader.getExperimentalTechniques())); mmtfDecoderInterface.setXtalInfo(MmtfUtils.getSpaceGroupAsString(xtalInfo.getSpaceGroup()), MmtfUtils.getUnitCellAsArray(xtalInfo), MmtfUtils.getNcsAsArray(xtalInfo.getNcsOperators()));