Re: [AMBER] cpptraj nastruct local helical vectors?

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 19 May 2017 11:33:55 -0400

Hi,

Not directly. You can get cpptraj nastruct to print a ton of extra
info (include base/base pair axes in PDB format) but you need to
recompile with the define NASTRUCTDEBUG. One way to this is to use the
standalone configure like so:

DBGFLAGS=-DNASTRUCTDEBUG ./configure <options>

and 'make install'.

If printing of NA axes etc is a desired feature you can put in a
feature request here: https://github.com/Amber-MD/cpptraj/issues

Hope this is somewhat helpful,

-Dan

On Thu, May 18, 2017 at 3:03 PM, Kenneth Huang
<kennethneltharion.gmail.com> wrote:
> Hi all,
>
> I have a quick question- I saw in an earlier thread (
> http://archive.ambermd.org/201605/0404.html) that while nastruct doesn't do
> global helical parameters, it does local ones. Does that include local
> helical axis/vectors?
>
> I've dug around in the manual, and couldn't find anything. An obvious
> solution is to draw the vectors with the vector command, but I was curious
> if there was something already implemented and I'm not seeing it.
>
> Best,
>
> Kenneth
> --
> Ask yourselves, all of you, what power would hell have if those imprisoned
> here could not dream of heaven?
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber



-- 
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri May 19 2017 - 09:00:03 PDT
Custom Search