Dear Rob
Thanks a lot.
print_hb_list.py is really what I wanted.
As I'm a beginner of python, your script is very helpful.
Thanks again,
Tomoko
2008/5/6 Robert Campbell :
> Hi Tomoko,
>
> On Mon, 05 May 2008 18:26:17 +0900, Tomoko Niwa
> wrote:
>
> > Thanks for kind advices.
> >
> > What
Hi Tomoko,
On Mon, 05 May 2008 18:26:17 +0900, Tomoko Niwa
wrote:
> Thanks for kind advices.
>
> Whatif and PISA worked excellently, but I want to get the list within Pymol.
>
>
> By parsing the pymol modules, I found
>
> hb = cmd.find_pairs("((byres "+sss1+") and n;n)",
>
Thanks for kind advices.
Whatif and PISA worked excellently, but I want to get the list within Pymol.
By parsing the pymol modules, I found
hb = cmd.find_pairs("((byres "+sss1+") and n;n)",
"((byres "+sss1+") and n;o)",mode=1,
cutoff=3
Try the whatif package -
http://swift.cmbi.ru.nl/servers/html/index.html
There is a link for hydrogen bonds on the left.
You may have to check or edit the output for your personal criteria -
Dave
On Sun, 4 May 2008, Tomoko Niwa wrote:
> I would like to get a list of main-chain hydrogen bonds o
I would like to get a list of main-chain hydrogen bonds of a protein.
For example:
A/GLU`148/O A/TYR`151/N 3.13
A/PHE`152/N A/VAL`176/O 2.79
for 1NZL.pdb
Any suggestions and advices are greatly appreciated.
Thanks.
Tomoko
