| 3D coordinates of hydrogen atom lost for structures containing positive charged nitrogen [message #824] |
Mon, 23 March 2020 11:47  |
zhentg
Messages: 25
Registered: March 2020
|
Junior Member |
|
|
Dear developers,
When I load SDF with 3D coordinates, I found if a structure contains positively charged nitrogen, then its hydrogen atom will disppear in DataWarrior. Furthermore, if the structure is exported to a new SDF file, the hydrogen atoms are still missing.
Could you help to check this?
Attached is the original SDF, a DataWarrior file created from the SDF, and a snapshot to highlight the issue.
Thanks!
-
Attachment: 图片1.png
(Size: 42.56KB, Downloaded 618 times)
-
Attachment: 3dLostH_3D.sdf
(Size: 3.79KB, Downloaded 377 times)
-
Attachment: 3dLostH_3D.dwar
(Size: 2.70KB, Downloaded 378 times)
Datawarrior is a good tool
|
|
|
|
Search
Help
Members
Register
Login
Home
