File: cpptraj.cor.save

package info (click to toggle)
cpptraj 5.1.0%2Bdfsg-5
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 139,188 kB
  • sloc: cpp: 145,622; ansic: 34,635; sh: 11,365; f90: 971; makefile: 770; awk: 242
file content (45 lines) | stat: -rw-r--r-- 3,021 bytes parent folder | download | duplicates (2)
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
40
41
42
43
44
45
* Cpptraj Generated COOR file.
*
   42
    1    1 ALA  CAY   -2.02355   0.50878   0.90387 ALA3 1      0.00000
    2    1 ALA  HY1   -2.38161  -0.04230   0.00810 ALA3 1      0.00000
    3    1 ALA  HY2   -2.26783   1.58678   0.78389 ALA3 1      0.00000
    4    1 ALA  HY3   -2.55571   0.11923   1.79919 ALA3 1      0.00000
    5    1 ALA  CY    -0.55431   0.33695   1.07450 ALA3 1      0.00000
    6    1 ALA  OY    -0.04592   0.34946   2.19313 ALA3 1      0.00000
    7    1 ALA  N      0.16762   0.17492  -0.05184 ALA3 1      0.00000
    8    1 ALA  HN    -0.27310   0.17854  -0.94433 ALA3 1      0.00000
    9    1 ALA  CA     1.60592   0.04508  -0.06460 ALA3 1      0.00000
   10    1 ALA  HA     1.93908  -0.36985   0.87900 ALA3 1      0.00000
   11    1 ALA  CB     2.08108  -0.86861  -1.21254 ALA3 1      0.00000
   12    1 ALA  HB1    1.63008  -1.87762  -1.10042 ALA3 1      0.00000
   13    1 ALA  HB2    1.77365  -0.45887  -2.19906 ALA3 1      0.00000
   14    1 ALA  HB3    3.18569  -0.98223  -1.20191 ALA3 1      0.00000
   15    1 ALA  C      2.22677   1.41185  -0.23754 ALA3 1      0.00000
   16    1 ALA  O      1.60826   2.32764  -0.78012 ALA3 1      0.00000
   17    2 ALA  N      3.48107   1.57759   0.23062 ALA3 2      0.00000
   18    2 ALA  HN     3.99657   0.83741   0.65692 ALA3 2      0.00000
   19    2 ALA  CA     4.17266   2.83707   0.15453 ALA3 2      0.00000
   20    2 ALA  HA     3.98132   3.28877  -0.81001 ALA3 2      0.00000
   21    2 ALA  CB     3.78053   3.79615   1.29962 ALA3 2      0.00000
   22    2 ALA  HB1    2.69340   4.01894   1.24516 ALA3 2      0.00000
   23    2 ALA  HB2    3.98708   3.33239   2.28845 ALA3 2      0.00000
   24    2 ALA  HB3    4.33388   4.75594   1.23007 ALA3 2      0.00000
   25    2 ALA  C      5.64412   2.54261   0.25887 ALA3 2      0.00000
   26    2 ALA  O      6.04126   1.47403   0.72009 ALA3 2      0.00000
   27    3 ALA  N      6.48499   3.50280  -0.18411 ALA3 3      0.00000
   28    3 ALA  HN     6.13427   4.33091  -0.60890 ALA3 3      0.00000
   29    3 ALA  CA     7.92186   3.35351  -0.15382 ALA3 3      0.00000
   30    3 ALA  HA     8.20731   2.84568   0.75805 ALA3 3      0.00000
   31    3 ALA  CB     8.43156   2.56819  -1.38151 ALA3 3      0.00000
   32    3 ALA  HB1    7.97603   1.55531  -1.39607 ALA3 3      0.00000
   33    3 ALA  HB2    8.15587   3.08623  -2.32426 ALA3 3      0.00000
   34    3 ALA  HB3    9.53548   2.44787  -1.34841 ALA3 3      0.00000
   35    3 ALA  C      8.57951   4.71741  -0.14361 ALA3 3      0.00000
   36    3 ALA  O      9.78094   4.83782  -0.37926 ALA3 3      0.00000
   37    3 ALA  NT     7.80775   5.78922   0.14002 ALA3 3      0.00000
   38    3 ALA  HNT    6.85039   5.69511   0.39377 ALA3 3      0.00000
   39    3 ALA  CAT    8.34307   7.12488   0.12945 ALA3 3      0.00000
   40    3 ALA  HT1    8.90740   7.31957  -0.81068 ALA3 3      0.00000
   41    3 ALA  HT2    7.51797   7.86652   0.20102 ALA3 3      0.00000
   42    3 ALA  HT3    9.02889   7.27189   0.99280 ALA3 3      0.00000