[Debichem-devel] Dynamics PyMOL Plugin

Tomasz Makarewicz tomaszm at biotech.ug.gda.pl
Tue May 14 10:39:13 UTC 2013


Dnia 13 Maja 2013, 11:12 pm, Pn, Michael Banck napisał(a):
> Hi Tomasz,
>
>
> On Mon, May 13, 2013 at 02:06:53PM +0200, Tomasz Makarewicz wrote:
>
>> My name is Tomasz Makarewicz and I am working at University of Gdańsk.
>> We
>> manage to publish article about our open source plugin for PyMOL, which
>> allows to perform Molecular Dynamics Simulation using GROMACS:
>> http://pubs.acs.org/doi/abs/10.1021/ci400071x
>>
>
> I saw that paper a while ago and bookmarked it, but did not have the
> time to read it yet.  Anyway, sounds very interesting!
>
>> the source code of the plugin can be obtained from:
>> https://github.com/tomaszmakarewicz/Dynamics
>> Ubuntu repository:
>> https://launchpad.net/~tomaszm/+archive/dynamics/+packages
>> Code is licensed under GPL-3.
>> I would like to ask you to include that plugin into Debian repositories.
>>  If you require any further knowledge or my assistance please let me
>> know.
>
> As you made Ubuntu packages, would you be interested in maintaining the
> plugin in Debian (and thus by proxy for Ubuntu) with us?
>
> We could review your packaging and possibly suggest some changes.  We
> use either svn or git for keeping the packaging in a SCM.  You don't need
> to be a Debian member to maintain it - just get an Alioth
> (http://alioth.debian.org) account and we can give you access to svn or
> git.  Somebody of us will upload the packages then.
>
> If you are not interested, we can maintain it ourselves, of course,
> possibly with your input.
>
> In any case, it might make sense to decide on a naming scheme for PyMOL
> plugins - you chose "dynamics-pymol-plugin" as package name, but I think
> "pymol-plugin-foo" is maybe the better choice, any other opinions?
>
>
> I have to say that I am on vacation next week and quite busy right now,
> so I might not get around to review your package and/or package Dynamics
> myself in May.
>
>
> Best regards,
>
>
> Michael

Hi Michael,

I would love to maintain the package, as I can do this instead of keeping
separate Ubuntu repository. I will make new account on
http://alioth.debian.org . When you will be able to provide me further
instructions or you will finally decide on a name of the plugin I will do
further work.

For the future version of the plugin I will also require ProDy:
http://www.csb.pitt.edu/prody/
which is also packaged in my repository. So could you look at possibility
for providing this package to Debian repositories too.

Best regards,
Tomasz Makarewicz




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