VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Jun 16 2015 - 09:49:24 CDT

On Tue, Jun 16, 2015 at 10:46 AM, Daniela Rivas <dani.rivas.r_at_gmail.com> wrote:
> I'm using Yasara to run molecular dynamics and the output file for the
> trajectories is in .sim format. I have no idea what it contains, I tried to
> find out and I couldn't find anything.

how about asking the authors of that software?

axel.

>
> Thanks!
>
> 2015-06-16 11:38 GMT-03:00 Axel Kohlmeyer <akohlmey_at_gmail.com>:
>>
>> On Tue, Jun 16, 2015 at 10:02 AM, Daniela Rivas <dani.rivas.r_at_gmail.com>
>> wrote:
>> > Hi,
>> >
>> > Is it possible to load a trajectory file in VMD using the .sim format?
>> > If
>> > not, what can I do? Should I convert it to another format?
>>
>> what program does generate a .sim file? how is the format defined?
>>
>> VMD supports different file format through plugins. the list of
>> available plugins is given here. you'll have to check if there is
>> anything that is compatible with the file you have.
>> http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/
>>
>> since i don't know what a .sim file contains and how it is created, i
>> cannot give any advice. if there is no suitable plugin, you can see if
>> there is a converter that outputs a supported file format (caution,
>> this may lose information). otherwise, there is always the option of
>> writing a custom plugin to support this particular file format. that
>> would also help other users of the same program.
>>
>> axel.
>>
>> >
>> > I hope you can help me.
>> >
>> > Thanks!
>> > Daniela.
>>
>>
>>
>> --
>> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
>> College of Science & Technology, Temple University, Philadelphia PA, USA
>> International Centre for Theoretical Physics, Trieste. Italy.
>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.