File: cl.mol2

package info (click to toggle)
mdtraj 1.11.1.post1-2
  • links: PTS, VCS
  • area: main
  • in suites: forky
  • size: 79,392 kB
  • sloc: python: 25,484; ansic: 6,266; cpp: 5,685; xml: 1,252; makefile: 208; sh: 23
file content (9 lines) | stat: -rw-r--r-- 157 bytes parent folder | download | duplicates (5)
1
2
3
4
5
6
7
8
9
@<TRIPOS>MOLECULE
*****
 1 0 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1 CL         -1.2092    0.7047    0.0000 Cl      1  UNL1        0.0000
@<TRIPOS>BOND