Units of XYZ Coordinates in sdf file in MarvinView

Hey,

When you save a mol file and open it again with wordpad or any other program to view the text file, you will see some info about the molecule. I would like to know what the units of the XYZ coordinates are.

Your help would be appreciated!

Thank you so much in advance!

H.Kayello

Hi,

It depends on the dimension of the structure. If it is in 3D then unit is Angstrom. However, for 2D structures the co-ordinates have no interpretation outside of MSketch, XYZ refer to internal drawing coordinates. 

 

Does this help?

Regards

Miklos