[gmx-users] inter-residue contact map

[Joe Greener]

Hi Shahee,

If you are willing to go beyond GROMACS you could also do this with 
Biopython (see for example 
https://github.com/biopython/biopython/issues/2163) or BioJulia (see 
https://biojulia.net/BioStructures.jl/stable/documentation.html#Spatial-calculations-1).

Best,
Joe


On 15/08/2019 11:00, gromacs.org_gmx-users-request at maillist.sys.kth.se 
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>     1. inter-residue contact map (SHAHEE ISLAM)
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> ----------------------------------------------------------------------
>
> Message: 1
> Date: Wed, 14 Aug 2019 20:12:59 +0530
> From: SHAHEE ISLAM <islamshahee at gmail.com>
> To: gmx-users <gmx-users at gromacs.org>
> Subject: [gmx-users] inter-residue contact map
> Message-ID:
> 	<CAJZ7aT-FTz8R8Ku-8bj5v74dOSKF6sTgxaFNnnrV7TQgWVvH6Q at mail.gmail.com>
> Content-Type: text/plain; charset="UTF-8"
>
> hello,
> i want to calculate the contact map between two different proteins. Using
> mdmat it is possible to calculate the contact map within a protein. But can
> anyone please suggest me how i can calculate the inter-residue contact map
> between two proteins using gromacs.
> thanking you
> shahee
>
>
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>