File: ref.cut.mol2.eelec.mol2.1.save

package info (click to toggle)
cpptraj 5.1.0%2Bdfsg-4
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid, trixie
  • size: 138,900 kB
  • sloc: cpp: 145,621; ansic: 34,635; sh: 11,365; f90: 971; makefile: 770; awk: 242
file content (21 lines) | stat: -rw-r--r-- 757 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
 
@<TRIPOS>MOLECULE
Cpptraj Generated mol2 file.
    6     4     1     0     0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 CD1         7.3257    5.7587   -0.1281 CA         1 TYR      5.601627
      2 HD1         6.6074    5.9202    0.6756 HA         1 TYR     -4.874354
      3 CE1         8.5704    6.3987   -0.0936 CA         1 TYR      1.721096
      4 CE2         9.1710    5.3439   -2.1928 CA         1 TYR     -1.721093
      5 CD2         7.9264    4.7038   -2.2273 CA         1 TYR     -5.601642
      6 HD2         7.6757    4.0440   -3.0579 HA         1 TYR      4.874310
@<TRIPOS>BOND
    1     4     5 1
    2     1     3 1
    3     5     6 1
    4     1     2 1
@<TRIPOS>SUBSTRUCTURE
      1 TYR               1 ****               0 ****  ****