Re: [Open Babel] Confab: rotatable bond detection

2016-04-13 Thread mirix
I am finding the same issue. In a molecule with 8 rotatable bonds, confab identifies 2 and produces 3 conformers. -- View this message in context: http://forums.openbabel.org/Confab-rotatable-bond-detection-tp4659190p4659266.html Sent from the General discussion mailing list archive at

[Open Babel] Confab: rotatable bond detection

2016-02-29 Thread alfredoq
Dear users: I am unsing Confab to screen bioactive conformers in a serie of molecules bearing aromatic rings linked by rotatble bonds. I noticed that Confab does not detect the whole set of rotatable bonds I expected to be rotated. The structure is shown below with the rotatable bond I expected