AMBER Archive (2007)

Subject: Re: AMBER: &shf setup

From: David A. Case (case_at_scripps.edu)
Date: Fri Nov 16 2007 - 17:59:19 CST

On Thu, Nov 15, 2007, McElheny, Dan wrote:
>
> i'm trying to include proton chemical shift restraints in my md
> refinement. looks like the script 'makeSHF_RST' has troubles with linux
> and always gives the error "unexpected token `('" which might have to do
> with awk in linux.

I'll have to look at this...makeSHF_RST is 10 years old, and has essentially
been replaced with the -sander option in the SHIFTS program (see web site
below for links). So it could well be that something is not working correctly
there...it's probably time to just retire makeSHF_RST.

...regards...dave 

-- 

==================================================================
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.         |  skype:                 dacase
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
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