Dimitry, Thank you for the input. For future reference, this is precisely the sort of feedback the issue Trackers on SourceForge are intended to accomodate, and everyone should feel welcome to use them as follows:
Go to http://www.pymol.org and seek out the TRACKERS section about halfway down. Follow "bugs", "features", or "support" then click on "add new artifact", add your comment, and then click submit. You don't need a SourceForge account, though having one will enable you to get feedback on your issue down the line. As for this specific issue, that is a good suggestion. Right now the interactive dihedral display is chemistry-centric in that it displays the dihedral between the 1-4 atoms of highest chemical precedence (first order). It would make sense to have the option of a more protein-centric view that would preferentially display phi's, psi's, and chi's, and perhaps likewise for nucleic acids. Cheers, Warren -- DeLano Scientific LLC Subscriber Support Services mailto:supp...@delsci.com -----Original Message----- From: DimitryASuplatov [mailto:gene...@gmail.com] Sent: Thursday, November 13, 2008 4:53 AM To: pymol-users@lists.sourceforge.net Subject: [PyMOL] Dihedrals: Not a bug, though might cause misunderstanding Hello, I have just noticed that the dihedral angle obtained by Ctrl-Click (in Edit mode) on Ca-C bond in protein backbone is not actually the psi dihedral (N-Ca-C-N) but rather the angle between N-Ca-C-O (shown in white on the attached picture)! "dihedral" command shows the right value for psi (shown in yellow on the picture). This is not a bug though it is confusing because phi angle is calculated correctly in both cases. Furthermore the necessity of rerunning "dihedral" each time psi adjustment is needed and lack of "live-preview" is not very comfortable. It might be worth tweaking this issue. SDA
