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 ==================================================================