AMBER Archive (2003)

Subject: Re: how to stop mapping of N- and C-terminal residues in xleap

From: David A. Case (case_at_scripps.edu)
Date: Tue Jan 14 2003 - 13:59:52 CST

On Tue, Jan 14, 2003, Michael Ford wrote:
>
> I need to know how to stop the mapping of N- and C-terminal residues by
> xleap. What I mean is that there are statements in the leaprc file such
> as:
>
> addPdbResMap {{ 0 "ALA" "NALA}.......}

I agree it's weird that removing the lines doesn't help. Try just changing
them to

addPdbResMap {{ 0 "ALA" "ALA}.......}

That should make an N-terminal ALA be "ALA", not "NALA".

..hope this helps...dac 

-- 

==================================================================
David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
==================================================================