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Questions and answers => General discussions (Q&As) => Topic started by: mauricio esguerra on July 24, 2007, 12:52:44 pm

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Title: Torsion angles reported from 0 to 360
Post by: mauricio esguerra on July 24, 2007, 12:52:44 pm

Hello,

When I use 3DNA to analyze, say, an 11bp A-RNA as a single strand, one gets the backbone and glycosidic torsion angles in the .outs file. The values range from -180 to 180 degrees. Is there an option to modify the range from 0 to 360 degrees?

I've made a script in R to do the job, but I was just wondering if 3DNA can do such task for you.

Thank you.

Title:
Post by: xiangjun on July 25, 2007, 12:11:28 am

The short answer is no -- currently no such option to output torsion angle in the range of [0, 360]. I picked up the range [-180, +180] because it is more natural to me. I vaguely remembered it is the standard in chemisty & biology, e.g., it is the way reported in the NDB.

You are actually the first user to ask this question. It is not a big deal to convert between the two, as you did with R or any (script) language.

I thus prefer to keep the torsion range as is in 3DNA. Of course, you are welcome to contribute your R script to be included in the users' corner.

HTH,

Xiang-Jun

Funded by the NIH R24GM153869 grant on X3DNA-DSSR, an NIGMS National Resource for Structural Bioinformatics of Nucleic Acids

Created and maintained by Dr. Xiang-Jun Lu, Department of Biological Sciences, Columbia University