Show Posts

This section allows you to view all posts made by this member. Note that you can only see posts made in areas you currently have access to.


Netiquette · Download · News · Gallery · Homepage · DSSR Manual · G-quadruplexes · DSSR-Jmol · DSSR-PyMOL · DSSR Download/Licensing · {Video Overview of DSSR}

Topics - meier74

Pages: [1]
1
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

Pages: [1]

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.