[gmx-users] 2D diagram

[Andrei Neamtu]

Many thanks Andrea!

It works perfectly for my purpose!

Andrei











*Dr. Andrei Neamtu, PhD, Lecturer Department of Physiology "Gr. T. Popa"
University of Medicine and Pharmacy of Iasi http://www.umfiasi.ro/
<http://www.umfiasi.ro/> Str. Universitatii nr. 16 IASI, Jud. Iasi ROMANIA*





On Wed, Sep 10, 2014 at 12:24 PM, andrea <andrea.spitaleri at iit.it> wrote:

> Hi,
>
> try either ligplot or ligplot+
>
> and
>
>
> On 10/09/2014 11:21, Andrei Neamtu wrote:
>
>> Hi,
>>
>> Maybe this is not a directly related Gromacs question, but:
>>
>> I have performed a md simulation of a protein in water, and I want to
>> follow for certain amino acids exposure to solvent and nearby contacting
>> residues.
>> Does anyone know a program for drawing synthetic 2D diagrams of
>> interactions/contacts between a residue and its spatial neighbors from an
>> PDB file?
>>
>> Many thanks,
>>
>> Andrei
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>> *Dr. Andrei Neamtu, PhD, Lecturer Department of Physiology "Gr. T. Popa"
>> University of Medicine and Pharmacy of Iasi http://www.umfiasi.ro/
>> <http://www.umfiasi.ro/> Str. Universitatii nr. 16 IASI, Jud. Iasi
>> ROMANIA*
>>
>
> --
> -------------------------------------------------------
> Andrea Spitaleri PhD
> Principal Investigator AIRC
> D3 - Drug Discovery & Development
> Istituto Italiano di Tecnologia
> Via Morego, 30 16163 Genova
> cell: +39 3485188790
> http://www.iit.it/en/d3-people/andrea-spitaleri.html
> ORCID: http://orcid.org/0000-0003-3012-3557
>
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>