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Author Topic: MD torsions  (Read 9922 times)

Offline ida

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MD torsions
« on: May 03, 2016, 09:49:50 am »
Hi,

I am using the last version of 3dna-dssr, 1.5, when I run the analysis on a MD trajectory (option --nrm) I obtain the torsional angle (dssr-torsions.txt) relatively only to the last model of my trajectory)
If I use the --json option, I think to obtain the values for all the torsion angle of each model, but I am not able to manage the file,json
can you help me?
 

Offline xiangjun

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Re: MD torsions
« Reply #1 on: May 03, 2016, 11:00:57 am »
JSON is a standard data exchange format by itself. You need to become familiar with tools such as jq or  underscore etc to parse it. Check my blogposts for some simple use cases.

DSSR does not contains a wrapper for the analysis of MD trajatories (yet). Users are welcome to contribute one, as do_x3dna does for the original 3DNA analysis.

Xiang-Jun

 

Created and maintained by Dr. Xiang-Jun Lu [律祥俊] (xiangjun@x3dna.org)
The Bussemaker Laboratory at the Department of Biological Sciences, Columbia University.