Skip to content

quick hack to calculate the distance between two Carbon alpha atoms using a protein pdb file and input(src dest) file

Notifications You must be signed in to change notification settings

ashish-y/DistancebetweenAtoms

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

3 Commits
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

DistancebetweenAtoms

DistancebetweenAtoms

Input file

1 38
1 4
1 5
1 7
1 8
10 13
10 14
10 36
10 39
11 14
11 15

......

PDB File

ATOM 1 N PRO 1 -5.150 23.060 -1.270
ATOM 2 CA PRO 1 -4.960 21.940 -0.290
ATOM 3 C PRO 1 -3.580 21.270 -0.490
ATOM 4 O PRO 1 -3.270 20.920 -1.620
ATOM 5 CB PRO 1 -6.110 20.950 -0.530
ATOM 15 OD1 ASN 2 -2.140 20.280 3.290
ATOM 16 N ARG 3 -2.920 18.280 1.120
ATOM 17 CA ARG 3 -3.300 16.870 1.320
ATOM 18 C ARG 3 -4.680 16.560 0.710
ATOM 19 O ARG 3 -5.600 16.180 1.420

.........

Output File

Atom Atom Distance
1 38 15.390081221358125
1 4 5.6221081455269095
1 5 9.335395010389224
1 7 13.629655168051759
11 15 6.80609285860838
11 16 9.01537575478693
12 15 5.17668813045561
12 16 6.327432338634685
12 17 8.64838135144375
12 28 9.67004653556538
12 32 7.67923173240657
13 16 5.115525388462069

Calculate the distance between two alpha atoms

About

quick hack to calculate the distance between two Carbon alpha atoms using a protein pdb file and input(src dest) file

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages