Re: [ccp4bb] Arp/WARP for multi-chain complex

2012-04-19 Thread Zhou, Tongqing (NIH/VRC) [E]
representatives. ** -Original Message- From: Antony Oliver [mailto:antony.oli...@sussex.ac.uk] Sent: Thursday, April 19, 2012 11:57 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Arp/WARP for multi-chain complex Thanks Victor - for giving a rational and detailed

Re: [ccp4bb] Arp/WARP for multi-chain complex

2012-04-19 Thread Antony Oliver
Thanks Victor - for giving a rational and detailed explanation. I obviously got carried away with the number of alanines to intersperse! With regards, Tony. On 19 Apr 2012, at 16:52, "Victor Lamzin" wrote: > Dear Tony, Tongqing, Tim, > > Adding some alanine spacer is good for a simple rea

Re: [ccp4bb] Arp/WARP for multi-chain complex

2012-04-19 Thread Victor Lamzin
Dear Tony, Tongqing, Tim, Adding some alanine spacer is good for a simple reason - during sequence docking ARP/wARP checks the distance between the ends of the fragments. Imagine you have two chains, 10 residues each. If you concatenate them together, terminal residues belonging to differ

Re: [ccp4bb] Arp/WARP for multi-chain complex

2012-04-19 Thread Saul Hazledine
Dear Tongqing, On Apr 19, 2012, at 5:26 AM, Zhou, Tongqing (NIH/VRC) [E] wrote: > I am trying to use Arp/wArp to build an antibody-antigen complex with 1.65 A > data, there are three chains (heavy, light chains of antibody and the > antigen) in the complex, my question is how to put the sequenc

Re: [ccp4bb] Arp/WARP for multi-chain complex

2012-04-19 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Tony, dear Tongqing, the way I understand the working mechanism of arp/warp works I do not see the point introducing the polyALA spacer into the sequence. Just concatenate all sequences into one file as though it was one molecule. Cheers, Tim O

Re: [ccp4bb] Arp/WARP for multi-chain complex

2012-04-18 Thread Antony Oliver
In the absence of a likely, more sensible, answer - I think the trick is/was to simply put everything in one pir file, but "link" each sequence with a run of 20 or so alanines i.e. sequence A followed by ... sequence B sequence C. There may well be a more el

[ccp4bb] Arp/WARP for multi-chain complex

2012-04-18 Thread Zhou, Tongqing (NIH/VRC) [E]
Dear All, I am trying to use Arp/wArp to build an antibody-antigen complex with 1.65 A data, there are three chains (heavy, light chains of antibody and the antigen) in the complex, my question is how to put the sequences in the *.pir file so that it still identifies different chains. It looks