File: Pyranoid.mol2

package info (click to toggle)
cpptraj 5.1.0%2Bdfsg-4
  • links: PTS, VCS
  • area: main
  • in suites: sid, trixie
  • size: 138,900 kB
  • sloc: cpp: 145,621; ansic: 34,635; sh: 11,365; f90: 971; makefile: 770; awk: 242
file content (23 lines) | stat: -rw-r--r-- 795 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
@<TRIPOS>MOLECULE
Cpptraj generated mol2 file.
    6     6     1     0     0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
      1 C1          1.1997    0.7624   -0.2106 C1         1 GLC      0.000000
      2 C2          1.2356   -0.7040    0.2393 C2         1 GLC      0.000000
      3 C3          0.0110   -1.4564   -0.2550 C3         1 GLC      0.000000
      4 C4         -1.2300   -0.7208    0.2420 C4         1 GLC      0.000000
      5 C5         -1.2164    0.7350   -0.2133 C5         1 GLC      0.000000
      6 O5          0.0000    1.3839    0.1976 O5         1 GLC      0.000000
@<TRIPOS>BOND
    1     1     2 1
    2     1     6 1
    3     2     3 1
    4     3     4 1
    5     4     5 1
    6     5     6 1
@<TRIPOS>SUBSTRUCTURE
      1 GLC               1 ****               0 ****  ****