[gmx-users] Generate diagram/figure with information about protein-ligand interactions

[bio hpc]

My problem is not excel or whatever graphical program. I just need the data, in an automatic way. Then I can use either matplotlib or similar to get the plots automatically. But my question is if there is somewhere a repository of gromacs scripts with a script doing an analysis of the protein-ligand itneractions during trajectory. I do not think to be the only one requesting this


> El 30/3/2016, a las 6:46, Sun Iba <sun.iba2 at gmail.com> escribió:
> 
> i am sorry, i replied prior to looking at your figure. Actually, i have
> never came across plotting data in this matter. However, I believe you have
> tabulated data, so you can use Origin or excel for generating similar
> images. You need little effort to arrange the data in desired manner.
> Best Wishes
> 
> On Wed, Mar 30, 2016 at 3:15 AM, bio hpc <biohpc2015 at gmail.com> wrote:
> 
>> Hi,
>> 
>> after a protein-ligand simulation with gromacs, I would like to be able to
>> generate a diagram/figure with information about protein-ligand
>> interactions, something like this:
>> 
>> https://dl.dropboxusercontent.com/u/2012631/Figure7.jpg <
>> https://dl.dropboxusercontent.com/u/2012631/Figure7.jpg>
>> 
>> I had a look to all gromacs tools but found nothing similar to this. Where
>> can I start from?
>> 
>> Thanks,
>> 
>> biohpc
>> 
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