Units of XYZ Coordinates in sdf file in MarvinView

User 1ea534ed04

09-03-2010 19:01:28

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

ChemAxon efa1591b5a

11-03-2010 12:41:55

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