Hi Paul, Thank you for your reply. However, I encountered another issue. I was able to reverse my fragments and now the first atom is at the correct position. But how do I continue to Baton mode? Because when I hit Baton mode, it seems started a new project and I have to restart the model building? How do I continue from my unfinished Ca tracing? Best, Yangqi
Sent from Mail for Windows 10 From: Paul Emsley Sent: Tuesday, October 2, 2018 12:42 PM To: BuddySphinx; [email protected] Subject: Re: Building backwards in Baton mode On 02/10/2018 17:24, BuddySphinx wrote: > > I am trying to use the Baton mode feature to manually trace my Ca carbon. I > started on an atom within an alpha helix and hit the point where I realized > this is the first atom. Now I > want to set up this as the first atom, is there a way to do that? Also, by > reading the manual, I tried to > “building back” feature. I typed the command in Coot Scheme Scripting using > the following command line: > set-baton-build-params start-resno chain-id ”backwards”, but it gave me an > error saying :”Unbound variable: > start resno”. I am wondering what did I do wrong? > The first atom is placed at the tip of the baton - so start with the centre of the screen ~3.7A away from this - use to cross-hairs to find out where. Well done for reading the manual. These days, I would do the following: Baton build my fragment -> makes molecule 3 say CA-Zone to Mainchain on molecule 3 (-> Molecule 4) Copy Molecule 3 (-> Molecule 5) Other Modelling Tools -> Reverse Fragment (on Molecule 5) and then CA-Zone to Mainchain on that. This is a bit of a faff. The next release of Coot will do this for you. Regards, Paul. ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT&A=1
