Hi
This structure 'OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC'. I want to rotate its
tortionals but I get error

File: Test.sdf
Commnand: obrotate 'OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC' Test.sdf 9 7 5 3 60
Error: obrotate: The atoms of the rotating bond must be bonded.

9 7 5 3 are torsional as seen in attachment
What am I doing wrong?

Thank You

Attachment: Test.sdf
Description: application/save-to-disk

Attachment: Test.smiles
Description: Binary data

------------------------------------------------------------------------------
BPM Camp - Free Virtual Workshop May 6th at 10am PDT/1PM EDT
Develop your own process in accordance with the BPMN 2 standard
Learn Process modeling best practices with Bonita BPM through live exercises
http://www.bonitasoft.com/be-part-of-it/events/bpm-camp-virtual- event?utm_
source=Sourceforge_BPM_Camp_5_6_15&utm_medium=email&utm_campaign=VA_SF
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss

Reply via email to