| 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
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Junior Member |
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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!
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Attachment: 图片1.png
(Size: 42.56KB, Downloaded 510 times)
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Attachment: 3dLostH_3D.sdf
(Size: 3.79KB, Downloaded 283 times)
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Attachment: 3dLostH_3D.dwar
(Size: 2.70KB, Downloaded 287 times)
Datawarrior is a good tool
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