Returns a data frame for a specified property name

get_prop(moldbase, propname)

Arguments

moldbase

Molecular database

propname

Property name

Value

Data frame with property values

Examples

data("alkans74") get_prop(alkans74.mdb, "bp")
#> bp #> 1 -88.629997 #> 2 -42.070000 #> 3 -0.500000 #> 4 -11.730000 #> 5 36.074001 #> 6 27.851999 #> 7 9.503000 #> 8 68.739998 #> 9 60.271000 #> 10 63.282001 #> 11 49.741001 #> 12 57.987999 #> 13 98.427002 #> 14 90.052002 #> 15 91.849998 #> 16 93.474998 #> 17 79.196999 #> 18 89.783997 #> 19 80.500000 #> 20 86.064003 #> 21 80.882004 #> 22 125.665001 #> 23 117.647003 #> 24 118.925003 #> 25 117.709000 #> 26 118.533997 #> 27 106.839996 #> 28 115.607002 #> 29 109.429001 #> 30 109.102997 #> 31 111.969002 #> 32 117.724998 #> 33 115.650002 #> 34 118.259003 #> 35 109.841003 #> 36 99.237999 #> 37 114.760002 #> 38 113.467003 #> 39 106.470001 #> 40 150.798004 #> 41 143.259995 #> 42 144.179993 #> 43 142.479996 #> 44 143.000000 #> 45 141.199997 #> 46 132.690002 #> 47 140.500000 #> 48 133.500000 #> 49 136.000000 #> 50 135.210007 #> 51 137.300003 #> 52 140.600006 #> 53 136.000000 #> 54 135.199997 #> 55 138.000000 #> 56 133.800003 #> 57 140.600006 #> 58 140.399994 #> 59 133.600006 #> 60 126.540001 #> 61 124.084000 #> 62 137.679993 #> 63 139.000000 #> 64 131.339996 #> 65 130.647995 #> 66 140.460007 #> 67 146.167999 #> 68 133.830002 #> 69 142.000000 #> 70 136.729996 #> 71 140.274002 #> 72 133.016006 #> 73 122.283997 #> 74 141.550995