-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathpindsdef.m
executable file
·39 lines (34 loc) · 1.45 KB
/
pindsdef.m
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
%
% Version 1.0
% Last modified R O Zhurakivsky 2009-01-09
% Created R O Zhurakivsky 2005-09-?
format compact
%pretty atoms indexes :)
global pind
%Attention!!! New lables must be added only to the end of array!
pind.labels = [{'pC1'};{'pC2'};{'pC3'};{'pC4'};{'pC5'};...
{'pO4'};{'pO2'};{'pO3'};{'pO5'};{'pH11'};{'pH12'};{'pH21'};{'pH22'};...
{'pH31'};{'pH32'};{'pH4'};{'pH51'};{'pH52'};{'pH53'};... %#14-19
{'bN1'};{'bC2'};{'bN3'};{'bC4'};{'bC5'};{'bN6'};{'bN'};{'bO2'};{'bH5'};{'bH41'};{'bH42'};... % 6azaCyd #21-30
{'bC6'};{'bH6'};... % Cyd
{'bH3'};{'bO4'};... % Urd, Thd & Cyd imino
{'bCC5'};{'bH51'};{'bH52'};{'bH53'};... % Thd #35-38
{'bN7'};{'bC8'};{'bN9'};{'bH2'};{'bCN6'};{'bH61'};{'bH62'};{'bH8'};... % Ade #39-46
{'bH1'};{'bCN2'};{'bH21'};{'bH22'};{'bCO6'};{'bH7'};{'bCO8'};... % Guo #47-53
{'bN5'}; %5aza structures atom
{'bBr5'}; %5bromine structures atom
{'bF6'}; %6flourine structures atom
{'bN8'}; %8aza structures atom
{'pP5'};{'pOP1'};{'pOP2'};{'pOP3'};{'pHP1'};{'pHP2'};{'xN'};{'xH1'};{'xH2'};{'xH3'};{'pP3'};... %nucleotides atoms #58-68
{'bH4'};... %Urd, Thd lactim
{'pS4'};... %tionucleosides
{'pH42'};... %moltypes 2,3
{'bNC7'};{'bH71'};{'bH72'};{'bH73'};... %moltype 353 #72-75
{'bCl5'};{'bF5'};...
{'pNa'};... %moltype 950 #78
{'pN31'};{'pN32'};{'pN33'};... %moltype 413 AZT
];
pind.ind = 1:numel(pind.labels);
%pind.ind(end+1)=numel(pind.ind)+1;
pind.ind(end+1)=999;
pind.labels(end+1)={'dummy'};