File: PDBFile_test_write_methane.txt

package info (click to toggle)
ball 1.5.0%2Bgit20180813.37fc53c-3
  • links: PTS, VCS
  • area: main
  • in suites: buster
  • size: 239,848 kB
  • sloc: cpp: 326,149; ansic: 4,208; python: 2,303; yacc: 1,778; lex: 1,099; xml: 958; sh: 322; makefile: 93
file content (14 lines) | stat: -rw-r--r-- 875 bytes parent folder | download | duplicates (9)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
/HEADER                                            .*
HETATM    1  C   UNK     1      -3.151   2.943  -1.230  1.00 20.00           C  
HETATM    2 1H   UNK     1      -3.151   4.030  -1.230  1.00 20.00           H  
HETATM    3 2H   UNK     1      -2.126   2.580  -1.230  1.00 20.00           H  
HETATM    4 3H   UNK     1      -3.664   2.580  -0.342  1.00 20.00           H  
HETATM    5 4H   UNK     1      -3.664   2.580  -2.117  1.00 20.00           H  
TER       6      UNK     1 
CONECT    1    2    3    4    5    0    0    0    0    0    0
CONECT    2    1    0    0    0    0    0    0    0    0    0
CONECT    3    1    0    0    0    0    0    0    0    0    0
CONECT    4    1    0    0    0    0    0    0    0    0    0
CONECT    5    1    0    0    0    0    0    0    0    0    0
MASTER        0    0    0    0    0    0    0    0    5    1    5    0
END