Hi Paul, Mitchell, Many thanks for the suggestions, I will go with the Acedrg Link as that was what I first attempted but had decided against somewhere along the line.
Thanks again, Colin > On 21 Dec 2019, at 05:57, Paul Emsley <[email protected]> wrote: > > On 20/12/2019 16:35, Colin Levy wrote: >> Morning, >> Can anyone suggest the correct method for introducing a non natural amino >> acid into a protein backbone? I am aware of the modelling, replace residue >> option but in this instance I am having no joy in creating a protein chain >> that can subsequently be real space refined etc. >> The residue in question is a Trp with NE1 substituted for S >> 3-(1-benzothiophen-3-yl)-L-alanine > > 4OG doesn't have standard amino acid backbone atom names, hence "Replace > residue" won't work. > > It seems to me that you want to do 2 ligand to protein links, one for the N > -> CO and the other for the CO -> N link. Unfortunately, how to do this is > not clear at the moment. You can either do it in Coot with "Make an Acedrg > Link" in the CCP4 module - or there is a method for the same in CCP4i2 7.1 > (not yet released). You will need to do both ends, as I said. > > I am aware that the documentation could be clearer and it's on the list to > fix. > > Paul. ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT&A=1
