5. What are the names of the different file formats used to save the molecular structures? Draw a molecule containing C, N and O in ChemSketch. Save this molecule in different file formats. Examine and print these files using any text editors. Use this example to explain the different features of these file formats.
The different names to save the molecular structures are:
· mol format
· xyz format
· pdb format
Structure
contains C, N, and O atoms.
Mol format
ACD/Labs0911051705
7 6 0 0 0 0 0 0 0 0 1 V2000
12.4868 -7.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.0296 -6.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4868 -12.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0011 -9.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0296 -9.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0582 -9.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0296 -12.6831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
2 5 1 0 0 0 0
1 4 2 0 0 0 0
5 7 1 0 0 0 0
M END
XYZ format
7
NoName 0.000000
O 12.4868 -7.0317 0.0000
C 17.0296 -6.6260 0.0000
C 12.4868 -12.2773 0.0000
C 14.0011 -9.6545 0.0000
C 17.0296 -9.6545 0.0000
C 20.0582 -9.6545 0.0000
N 17.0296 -12.6831 0.0000
pdb format
REMARK Accelrys ViewerPro PDB file
REMARK Created:
Sun Sep 11 18:05:24
ATOM 1 O1 MOL 1 12.487 -7.032 0.000 1.00 0.00
ATOM 2 C2 MOL 1 17.030 -6.626 0.000 1.00 0.00
ATOM 3 C3 MOL 1 12.487 -12.277 0.000 1.00 0.00
ATOM 4 C4 MOL 1 14.001 -9.655 0.000 1.00 0.00
ATOM 5 C5 MOL 1 17.030 -9.655 0.000 1.00 0.00
ATOM 6 C6 MOL 1 20.058 -9.655 0.000 1.00 0.00
ATOM 7 N7 MOL 1 17.030 -12.683 0.000 1.00 0.00
TER