CHAIN counts: chains.txt. ATOM counts follow. // - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - In top.js: var apiSizeAU = -1; // non-hydrogen atoms in model 1 of AU/deposited model, including altlocs. var apiSizeBM = new Array(); // ditto for each biomolecule. var apiFail = false; // if either status or atom-count api fails. var apiBMCount = -1; // number of biomolecules obtained via API. var apiResiduesAU = -1; // Residues in model 1 of deposited model. var apiResiduesBM = new Array(); // Residues/biomolecule. var apiMWAU = -1; // Molecular mass of deposited model less solvent. var apiMWBM = new Array(); // MW/biomolecule. var apiBMOverAU = new Array(); // Ratio of BM residues to AU residues. // - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - SIMP & CUTOFFS: "cao" means Carbon Alphas Only. AU = Asymmetric Unit. BU = Biological Unit BM = BioMolecule same as BU. BB = BackBone atoms (alpha carbons or nucleic phosphorus atoms). moltab.js bmNumber 0 for AU; >1 for &bu=N simpBBOnly cao simpUsedDivisor >1 for subset of cao. simpBBOnly true when >=1. simpCutoffOption 25K simpCutoffUnconditional 100K simpCutoffBBOnly 25K cao simpCutoffBBMax 100K cao simpMax true to allow this many cao. simpForceNone true if &nosimp top.js forceAU true if &au=1, then simpBBOnly false forceBBOnly 0, or >=1 if &bbonly=N // - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - See getAtomCounts() in modeldat.js allAtomCount = jmolEvaluate("{*}.count"); allAtomM1C1Count = jmolAtomCount("all"); // model 1, configuration 1 allAtomAllModelC1Count = jmolAtomCountAllModels("all"); // configuration 1 allAtomNonHM1C1Count = jmolAtomCount("not hydrogen"); proteinNonHCount = jmolAtomCount("protein and not hydrogen"); nucleicNonHCount = jmolAtomCount("nucleic and not hydrogen"); ligandNonHCount = jmolAtomCount("not (solvent, protein, nucleic, hydrogen)");