Oops - oh dear - GLN labels should* NOT *appear in a list devoted to GLU!!
Well spotted.. Eleanor On 26 April 2018 at 10:34, Chris Richardson <chris.richard...@icr.ac.uk> wrote: > 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. >
