Hi,
As noted in the manual, currently only anti-parallel Watson-Crick base
pairing is recognized. Support for recognizing other kinds of base-pairing
have been on my To-Do list for a while; hopefully I will get to it soon...
-Dan
On Thu, Mar 13, 2014 at 5:21 PM, Jio M <jiomm.yahoo.com> wrote:
> Hi Daniel
> Usually AT and GC are considered as H-bonded but, e.g., A can have H-bonds
> with C also. Does natstruct consider this? e.g. If DNA structure distorts
> and goes like this does it consider H-bonds for A-C?
>
> #normal #wrong base-pair
> -T
> A-T A-C
> G-C ===> G-A
> T-A T-G
> C-G C-
>
> thanks
> Jiom
>
>
>
>
>
> On Thursday, March 13, 2014 2:36 PM, Daniel Roe <daniel.r.roe.gmail.com>
> wrote:
>
> Hi All,
>
> I would like to announce update 24 for AmberTools 13, which contains minor
> bug fixes for CPPTRAJ:
>
> 1) In 'nastruct', fix small error in calculation of number of hydrogen
> bonds between base pairs; only affects first frame when the given residue
> range is not continuous.
>
> 2) Fix a bug that was causing number of frames to be not properly detected
> in Gzipped Amber trajectory files larger than 4 GB.
>
> This update is currently available. To apply, simply re-run configure from
> $AMBERHOME and re-compile.
>
> -Dan
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Fri Mar 14 2014 - 07:00:03 PDT
