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Topics - meier74

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Dear all,

I am trying to analyze an NMR ensemble with 10 models using x3dna-dssr with the --nmr option. I am interested in the backbone torsion angles. Unfortunately the file dssr-torsions.txt gets overwritten as the program proceeds from model to model in the PDB file. After the run finishes, the file only contains the data for the last model (#10). Is it possible to configure the program in such a way that it records the data for all models?

I am using DSSR v1.6.5-2017jan22 on Gentoo Linux (64 bit)

Thank you for your help!

Markus Meier, Ph.D.
Research Associate
University of Manitoba
Department of Chemistry
144 Dysart Road
Winnipeg, MB, R3T 2N2, Canada

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