Data Tables

The different lookup tables that are used to conver strings to integers in Molecular Nodes.

Code for this can be found on the GitHub Page

Residue Names

Name	Integer
UNK	-1
ALA	0
ARG	1
ASN	2
ASP	3
CYS	4
GLU	5
GLN	6
GLY	7
HIS	8
ILE	9
LEU	10
LYS	11
MET	12
PHE	13
PRO	14
SER	15
THR	16
TRP	17
TYR	18
VAL	19
SNC	15
MSE	12
ASH	3
CYM	4
CYX	4
GLH	5
HID	8
HIE	8
HIP	8
HYP	8
LYN	11
DA	30
DC	31
DG	32
DT	33
PST	33
A	40
C	41
G	42
U	43
T	43

Atom Names

Name	Integer
N	1
CA	2
C	3
O	4
CB	5
CG	6
CG1	7
CG2	8
OG	9
OG1	10
SG	11
CD	12
CD1	13
CD2	14
ND1	15
ND2	16
OD1	17
OD2	18
SD	19
CE	20
CE1	21
CE2	23
CE3	24
NE	25
NE1	26
NE2	27
OE1	28
OE2	29
CH2	30
NH1	31
NH2	32
OH	33
CZ	34
CZ2	35
CZ3	36
NZ	37
OXT	38
P	50
O1P	51
OP1	51
OP2	52
O2P	52
O5’	53
C5’	54
C4’	55
O4’	56
C3’	57
O3’	58
C2’	59
O2’	60
C1’	61
N1	62
N9	63
N3	64
C8	65
N7	66
C5	67
C6	68
N6	69
C2	70
C4	71
O6	72
N2	73
N4	74
O2	75
O4	76
C7	77