Many thanks for explaining where it is going awry. Looking at GLU.cif in the monomer library that is part of the CCP4 distribution, it contains the following lines:
GLN chi1 N CA CB CG 180.000 15.000 3 GLN chi2 CA CB CG CD 180.000 15.000 3 GLN chi3 CB CG CD OE1 0.000 30.000 2 In the monomer library you link, it has: GLU chi1 N CA CB CG 180.000 15.000 3 GLU chi2 CA CB CG CD 180.000 15.000 3 GLU chi3 CB CG CD OE2 0.000 30.000 2 Which makes more sense. Thanks again, Chris ________________________________________ From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Huw Jenkins <h.t.jenk...@me.com> Sent: 26 April 2018 09:47 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Coot 'Edit Chi Angles' on Mac misbehaving > On 26 Apr 2018, at 09:19, Chris Richardson <chris.richard...@icr.ac.uk> wrote: > > I've just compiled Coot on the same Mac using Fink, and the dialogue for this > version of Coot shows CA <--> CB, CB <--> CG, and CG <--> CD angles for the > same residue. >From a quick look at the Fink coot.info it appears to get the monomer library >from here: http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/content/refmac/Dictionary/refmac_dictionary_v5.41.tar.gz Setting $CLIBD_MON to point to this and the 'Edit Chi Angles' dialogue for CCP4 distributed Coot 0.8.9.1 shows CA <--> CB, CB <--> CG and CG <--> CD of Glu 14 A from the RNase tutorial model. Huw The Institute of Cancer Research: Royal Cancer Hospital, a charitable Company Limited by Guarantee, Registered in England under Company No. 534147 with its Registered Office at 123 Old Brompton Road, London SW7 3RP. This e-mail message is confidential and for use by the addressee only. If the message is received by anyone other than the addressee, please return the message to the sender by replying to it and then delete the message from your computer and network.
