Atom Names/Types

Usage

atom.index

Examples

data(atom.index)
atom.index

   name symb
1     H    H
2     C    C
3    CA    C
4    CB    C
5    CD    C
6   CD1    C
7   CD2    C
8    CE    C
9   CE1    C
10  CE2    C
11  CE3    C
12   CG    C
13  CG1    C
14  CG2    C
15  CH2    C
16   CZ    C
17  CZ2    C
18  CZ3    C
19    N    N
20  ND1    N
21  ND2    N
22   NE    N
23  NE1    N
24  NE2    N
25  NH1    N
26  NH2    N
27   NZ    N
28    O    O
29  OD1    O
30  OD2    O
31  OE1    O
32  OE2    O
33   OG    O
34  OG1    O
35   OH    O
36  OXT    O
37    S    S
38   SD    S
39   SG    S
40    P    P
41   MG   Mg
42   MN   Mn
43    K    K
44   CL   Cl
45   ZN   Zn
46   SE   Se
47    F    F
48   AL   Al


# Get the atomic symbol of some atoms
atom.names <- c("CA", "O", "N", "OXT")
atom.index[match(atom.names, atom.index$name), "symb"]

[1] "C" "O" "N" "O"

See also