Dear Coot developers and users, I would like to change some torsion angles of a ligand in coot but it did not work as what I expected. I was able to play with the torsion angles formed by C06 C07 N08 O10 but not C06 C07 N08 O09 (shown in the figure below). Is it a bug or some geometry knowledge that I do not know?
The restraint file for the torsion angle (C06 C07 N08 O10) is defined quite well: LIG CONST_23 O09 N08 C07 C06 -5.58, which is close to zero. Therefore, O9, O10 N08 should be more or less in the same plane with the benzene ring. If I click on the ligand with “real space refinement”, it should make the O9, O10 N08 more or less in the same plane with the benzene ring. However, coot did not do it. Can anyone please help? Many thanks in advance! Best, Zhen [cid:image002.png@01D8BC94.06712650] ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
