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RNA structures (DSSR) / DSSR: Analyzing NMR structures - overwritten output files
« on: February 08, 2017, 06:45:55 pm »
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
--
Markus Meier, Ph.D.
Research Associate
University of Manitoba
Department of Chemistry
144 Dysart Road
Winnipeg, MB, R3T 2N2, Canada
E-mail: markus.meier@umanitoba.ca
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
--
Markus Meier, Ph.D.
Research Associate
University of Manitoba
Department of Chemistry
144 Dysart Road
Winnipeg, MB, R3T 2N2, Canada
E-mail: markus.meier@umanitoba.ca